(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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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).