1-(2,4-diamino-4-oxobutanoyl)-N-methylpyrrolidine-2-carboxamide

C10H18N4O3 — CID 60954201

IUPAC1-(2,4-diamino-4-oxobutanoyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)C(N)CC(N)=O
InChIInChI=1S/C10H18N4O3/c1-13-9(16)7-3-2-4-14(7)10(17)6(11)5-8(12)15/h6-7H,2-5,11H2,1H3,(H2,12,15)(H,13,16)
InChIKeyOUXHRADMISLTJJ-UHFFFAOYSA-N
MW242.28 g/mol
LogP-2.07
Rot. Bonds4

About 1-(2,4-diamino-4-oxobutanoyl)-N-methylpyrrolidine-2-carboxamide

1-(2,4-diamino-4-oxobutanoyl)-N-methylpyrrolidine-2-carboxamide (PubChem CID 60954201) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-(2,4-diamino-4-oxobutanoyl)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2,4-diamino-4-oxobutanoyl)-N-methylpyrrolidine-2-carboxamide
PubChem CID60954201
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Name1-(2,4-diamino-4-oxobutanoyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)C(N)CC(N)=O
InChIInChI=1S/C10H18N4O3/c1-13-9(16)7-3-2-4-14(7)10(17)6(11)5-8(12)15/h6-7H,2-5,11H2,1H3,(H2,12,15)(H,13,16)
InChIKeyOUXHRADMISLTJJ-UHFFFAOYSA-N
XLogP-2.07
TPSA118.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-2.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-amino-2-[[(2S)-1-[(2S)-2,4-diamino-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid
CID 71347145
2-[[1-[1-(2,4-diamino-4-oxobutanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoic acid
CID 22657957
1-(2-amino-5-methoxypentanoyl)-N-methylpyrrolidine-2-carboxamide
CID 81089238
(2S)-1-[(2S)-1-[(2R)-1-[(2S)-1-[(2S)-1-[(2S)-2-aminohexanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]-N-methylpyrrolidine-2-carboxamide
CID 155118953
1-[(2S)-2-amino-3-phenylpropanoyl]-N-methylpyrrolidine-2-carboxamide
CID 61164772
1-(2-amino-4-methylsulfonylbutanoyl)-N-methylpiperidine-2-carboxamide
CID 60944712
(2S)-1-[(2S)-2-amino-4-methylpentanoyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide
CID 24838464
1-(2,2-difluoroacetyl)-N-methylpyrrolidine-2-carboxamide
CID 103515226
1-(3-aminobutanoyl)-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119736640
2-[[5-amino-2-[[1-(2,4-diamino-4-oxobutanoyl)pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoic acid
CID 22657797
2-[[1-[1-(2,4-diamino-4-oxobutanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoic acid
CID 22657945
3-amino-4-[2-[[1-[(3-amino-1-carboxy-3-oxopropyl)amino]-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxobutanoic acid
CID 18252411

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-diamino-4-oxobutanoyl)-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(2,4-diamino-4-oxobutanoyl)-N-methylpyrrolidine-2-carboxamide (CID 60954201) is 1-(2,4-diamino-4-oxobutanoyl)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2,4-diamino-4-oxobutanoyl)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2,4-diamino-4-oxobutanoyl)-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1C(=O)C(N)CC(N)=O.
What is the InChIKey of 1-(2,4-diamino-4-oxobutanoyl)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is OUXHRADMISLTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-13-9(16)7-3-2-4-14(7)10(17)6(11)5-8(12)15/h6-7H,2-5,11H2,1H3,(H2,12,15)(H,13,16).
What are the key properties of 1-(2,4-diamino-4-oxobutanoyl)-N-methylpyrrolidine-2-carboxamide?
1-(2,4-diamino-4-oxobutanoyl)-N-methylpyrrolidine-2-carboxamide has a molecular weight of 242.28 g/mol, XLogP of -2.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-diamino-4-oxobutanoyl)-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 60954201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).