(2S)-1-[2-cyclopentyl-3-[formyl(hydroxy)amino]propanoyl]-N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]pyrrolidine-2-carboxamide

C19H28N6O5 — CID 88927987

IUPAC(2S)-1-[2-cyclopentyl-3-[formyl(hydroxy)amino]propanoyl]-N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]pyrrolidine-2-carboxamide
SMILESCc1cc(NC(=O)NC(=O)[C@@H]2CCCN2C(=O)C(CN(O)C=O)C2CCCC2)n[nH]1
InChIInChI=1S/C19H28N6O5/c1-12-9-16(23-22-12)20-19(29)21-17(27)15-7-4-8-25(15)18(28)14(10-24(30)11-26)13-5-2-3-6-13/h9,11,13-15,30H,2-8,10H2,1H3,(H3,20,21,22,23,27,29)/t14?,15-/m0/s1
InChIKeyLCSILNSMBHGOOJ-LOACHALJSA-N
MW420.47 g/mol
LogP1.01
Rot. Bonds7

About (2S)-1-[2-cyclopentyl-3-[formyl(hydroxy)amino]propanoyl]-N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]pyrrolidine-2-carboxamide

(2S)-1-[2-cyclopentyl-3-[formyl(hydroxy)amino]propanoyl]-N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]pyrrolidine-2-carboxamide (PubChem CID 88927987) has the molecular formula C19H28N6O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is (2S)-1-[2-cyclopentyl-3-[formyl(hydroxy)amino]propanoyl]-N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[2-cyclopentyl-3-[formyl(hydroxy)amino]propanoyl]-N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]pyrrolidine-2-carboxamide
PubChem CID88927987
Molecular FormulaC19H28N6O5
Molecular Weight420.47 g/mol
Exact Mass420.21
IUPAC Name(2S)-1-[2-cyclopentyl-3-[formyl(hydroxy)amino]propanoyl]-N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]pyrrolidine-2-carboxamide
SMILESCc1cc(NC(=O)NC(=O)[C@@H]2CCCN2C(=O)C(CN(O)C=O)C2CCCC2)n[nH]1
InChIInChI=1S/C19H28N6O5/c1-12-9-16(23-22-12)20-19(29)21-17(27)15-7-4-8-25(15)18(28)14(10-24(30)11-26)13-5-2-3-6-13/h9,11,13-15,30H,2-8,10H2,1H3,(H3,20,21,22,23,27,29)/t14?,15-/m0/s1
InChIKeyLCSILNSMBHGOOJ-LOACHALJSA-N
XLogP1.01
TPSA147.73 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 51.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]pyrrolidine-2-carboxamide
CID 16035512
(2S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-1-N-(5-methyl-1H-pyrazol-3-yl)pyrrolidin-1-ium-1,2-dicarboxamide
CID 87353709
(2R)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-2-methyl-N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]pyrrolidin-1-ium-1-carboxamide
CID 91001904
5-cyclopropyl-5-[3-[(3S)-3-methyl-4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 141489084
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 47038589
2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 60519344
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 60519345
N-(5-methyl-1H-pyrazol-3-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102893114
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[5-(2-methylcyclopropyl)-1H-pyrazol-3-yl]propanamide
CID 121563532
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[5-[(1S,2R)-2-methylcyclopropyl]-1H-pyrazol-3-yl]propanamide
CID 124627537
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[5-[(1S,2S)-2-methylcyclopropyl]-1H-pyrazol-3-yl]propanamide
CID 124627538
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[5-[(1R,2R)-2-methylcyclopropyl]-1H-pyrazol-3-yl]propanamide
CID 124627539

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-cyclopentyl-3-[formyl(hydroxy)amino]propanoyl]-N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[2-cyclopentyl-3-[formyl(hydroxy)amino]propanoyl]-N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]pyrrolidine-2-carboxamide (CID 88927987) is (2S)-1-[2-cyclopentyl-3-[formyl(hydroxy)amino]propanoyl]-N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[2-cyclopentyl-3-[formyl(hydroxy)amino]propanoyl]-N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[2-cyclopentyl-3-[formyl(hydroxy)amino]propanoyl]-N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]pyrrolidine-2-carboxamide is Cc1cc(NC(=O)NC(=O)[C@@H]2CCCN2C(=O)C(CN(O)C=O)C2CCCC2)n[nH]1.
What is the InChIKey of (2S)-1-[2-cyclopentyl-3-[formyl(hydroxy)amino]propanoyl]-N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]pyrrolidine-2-carboxamide?
The InChIKey is LCSILNSMBHGOOJ-LOACHALJSA-N. The full InChI is InChI=1S/C19H28N6O5/c1-12-9-16(23-22-12)20-19(29)21-17(27)15-7-4-8-25(15)18(28)14(10-24(30)11-26)13-5-2-3-6-13/h9,11,13-15,30H,2-8,10H2,1H3,(H3,20,21,22,23,27,29)/t14?,15-/m0/s1.
What are the key properties of (2S)-1-[2-cyclopentyl-3-[formyl(hydroxy)amino]propanoyl]-N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]pyrrolidine-2-carboxamide?
(2S)-1-[2-cyclopentyl-3-[formyl(hydroxy)amino]propanoyl]-N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]pyrrolidine-2-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 1.01, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-cyclopentyl-3-[formyl(hydroxy)amino]propanoyl]-N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 88927987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).