1-(4-amino-2-formamido-4-oxobutanoyl)-N-(3-methyl-1-oxobutan-2-yl)pyrrolidine-2-carboxamide

C15H24N4O5 — CID 171636095

IUPAC1-(4-amino-2-formamido-4-oxobutanoyl)-N-(3-methyl-1-oxobutan-2-yl)pyrrolidine-2-carboxamide
SMILESCC(C)C(C=O)NC(=O)C1CCCN1C(=O)C(CC(N)=O)NC=O
InChIInChI=1S/C15H24N4O5/c1-9(2)11(7-20)18-14(23)12-4-3-5-19(12)15(24)10(17-8-21)6-13(16)22/h7-12H,3-6H2,1-2H3,(H2,16,22)(H,17,21)(H,18,23)
InChIKeyGUYVNRVHKBZPIF-UHFFFAOYSA-N
MW340.38 g/mol
LogP-1.69
Rot. Bonds9

About 1-(4-amino-2-formamido-4-oxobutanoyl)-N-(3-methyl-1-oxobutan-2-yl)pyrrolidine-2-carboxamide

1-(4-amino-2-formamido-4-oxobutanoyl)-N-(3-methyl-1-oxobutan-2-yl)pyrrolidine-2-carboxamide (PubChem CID 171636095) has the molecular formula C15H24N4O5 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-(4-amino-2-formamido-4-oxobutanoyl)-N-(3-methyl-1-oxobutan-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-amino-2-formamido-4-oxobutanoyl)-N-(3-methyl-1-oxobutan-2-yl)pyrrolidine-2-carboxamide
PubChem CID171636095
Molecular FormulaC15H24N4O5
Molecular Weight340.38 g/mol
Exact Mass340.17
IUPAC Name1-(4-amino-2-formamido-4-oxobutanoyl)-N-(3-methyl-1-oxobutan-2-yl)pyrrolidine-2-carboxamide
SMILESCC(C)C(C=O)NC(=O)C1CCCN1C(=O)C(CC(N)=O)NC=O
InChIInChI=1S/C15H24N4O5/c1-9(2)11(7-20)18-14(23)12-4-3-5-19(12)15(24)10(17-8-21)6-13(16)22/h7-12H,3-6H2,1-2H3,(H2,16,22)(H,17,21)(H,18,23)
InChIKeyGUYVNRVHKBZPIF-UHFFFAOYSA-N
XLogP-1.69
TPSA138.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 5-1.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-[(2S)-2-amino-3-methylbutanoyl]-N-[(2S)-3-methyl-1-oxobutan-2-yl]pyrrolidine-2-carboxamide
CID 123586300
(2S)-2-[[(2S)-1-[(2S)-4-amino-2-[(2-aminoacetyl)amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoic acid
CID 175872254
(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-acetamido-4-amino-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-4-amino-4-oxobutanoyl]amino]propanoyl]amino]-4-amino-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-N-[(2S)-1-oxopropan-2-yl]butanediamide
CID 146680853
2-[[1-[4-amino-2-(2-aminopropanoylamino)-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoic acid
CID 18233669
(2S)-4-amino-2-[[(2S)-1-[(2S)-2,4-diamino-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid
CID 71347145
4-amino-2-[[1-[4-amino-2-[(2-aminoacetyl)amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid
CID 18485818
2-[[1-[4-amino-2-[(2-aminoacetyl)amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid
CID 18485826
(2S)-1-[(2S)-4-amino-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carboxylic acid
CID 53327129
2-[[1-[4-amino-2-[(2,5-diamino-5-oxopentanoyl)amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoic acid
CID 18477864
4-amino-2-[[1-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid
CID 22652358
(2S)-1-[(2S)-4-amino-2-[[(2S)-1-[(2S)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoyl]pyrrolidine-2-carboxylic acid
CID 70041421
2-[[1-[4-amino-2-[(2,5-diamino-5-oxopentanoyl)amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]propanoic acid
CID 18477845

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-formamido-4-oxobutanoyl)-N-(3-methyl-1-oxobutan-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-amino-2-formamido-4-oxobutanoyl)-N-(3-methyl-1-oxobutan-2-yl)pyrrolidine-2-carboxamide (CID 171636095) is 1-(4-amino-2-formamido-4-oxobutanoyl)-N-(3-methyl-1-oxobutan-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-amino-2-formamido-4-oxobutanoyl)-N-(3-methyl-1-oxobutan-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-amino-2-formamido-4-oxobutanoyl)-N-(3-methyl-1-oxobutan-2-yl)pyrrolidine-2-carboxamide is CC(C)C(C=O)NC(=O)C1CCCN1C(=O)C(CC(N)=O)NC=O.
What is the InChIKey of 1-(4-amino-2-formamido-4-oxobutanoyl)-N-(3-methyl-1-oxobutan-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is GUYVNRVHKBZPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O5/c1-9(2)11(7-20)18-14(23)12-4-3-5-19(12)15(24)10(17-8-21)6-13(16)22/h7-12H,3-6H2,1-2H3,(H2,16,22)(H,17,21)(H,18,23).
What are the key properties of 1-(4-amino-2-formamido-4-oxobutanoyl)-N-(3-methyl-1-oxobutan-2-yl)pyrrolidine-2-carboxamide?
1-(4-amino-2-formamido-4-oxobutanoyl)-N-(3-methyl-1-oxobutan-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 340.38 g/mol, XLogP of -1.69, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-formamido-4-oxobutanoyl)-N-(3-methyl-1-oxobutan-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 171636095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).