(2S)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-5-(diaminomethylideneamino)pentanoic acid

C11H19N5O4 — CID 168695905

IUPAC(2S)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-5-(diaminomethylideneamino)pentanoic acid
SMILESNC(=O)C1CC(=O)N([C@@H](CCCN=C(N)N)C(=O)O)C1
InChIInChI=1S/C11H19N5O4/c12-9(18)6-4-8(17)16(5-6)7(10(19)20)2-1-3-15-11(13)14/h6-7H,1-5H2,(H2,12,18)(H,19,20)(H4,13,14,15)/t6?,7-/m0/s1
InChIKeyNCWYQCYBBLSJSZ-MLWJPKLSSA-N
MW285.30 g/mol
LogP-2.17
Rot. Bonds7

About (2S)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-5-(diaminomethylideneamino)pentanoic acid

(2S)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-5-(diaminomethylideneamino)pentanoic acid (PubChem CID 168695905) has the molecular formula C11H19N5O4 and a molecular weight of 285.30 g/mol. Its IUPAC name is (2S)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-5-(diaminomethylideneamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-5-(diaminomethylideneamino)pentanoic acid
PubChem CID168695905
Molecular FormulaC11H19N5O4
Molecular Weight285.30 g/mol
Exact Mass285.14
IUPAC Name(2S)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-5-(diaminomethylideneamino)pentanoic acid
SMILESNC(=O)C1CC(=O)N([C@@H](CCCN=C(N)N)C(=O)O)C1
InChIInChI=1S/C11H19N5O4/c12-9(18)6-4-8(17)16(5-6)7(10(19)20)2-1-3-15-11(13)14/h6-7H,1-5H2,(H2,12,18)(H,19,20)(H4,13,14,15)/t6?,7-/m0/s1
InChIKeyNCWYQCYBBLSJSZ-MLWJPKLSSA-N
XLogP-2.17
TPSA165.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 5-2.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-(diaminomethylideneamino)-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)pentanoic acid
CID 168692755
5-(diaminomethylideneamino)-2-(2-oxo-4-sulfanylpyrrolidin-1-yl)pentanoic acid
CID 168707813
(2S)-2-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-5-(diaminomethylideneamino)pentanoic acid
CID 168506806
5-(diaminomethylideneamino)-2-(4-ethenyl-2-oxopyrrolidin-1-yl)pentanoic acid
CID 168683729
(4S)-4-[(2-aminoacetyl)amino]-5-[(3S)-1-[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]-5-oxopyrrolidin-3-yl]-5-oxopentanoic acid
CID 75204231
(2S)-5-(diaminomethylideneamino)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]pentanoic acid
CID 168674989
(2S)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methylsulfanylbutanoic acid
CID 168695770
1-(5-amino-1-carboxypentyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690337
(2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(2-fluorophenyl)propanoic acid
CID 168695935
(3R)-3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methoxy-4-oxobutanoic acid
CID 168695754
3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methylpentanoic acid
CID 168695626
(2S)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(1H-imidazol-5-yl)propanoic acid
CID 168695925

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-5-(diaminomethylideneamino)pentanoic acid?
The IUPAC name of (2S)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-5-(diaminomethylideneamino)pentanoic acid (CID 168695905) is (2S)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-5-(diaminomethylideneamino)pentanoic acid.
What is the SMILES notation for (2S)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-5-(diaminomethylideneamino)pentanoic acid?
The canonical SMILES for (2S)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-5-(diaminomethylideneamino)pentanoic acid is NC(=O)C1CC(=O)N([C@@H](CCCN=C(N)N)C(=O)O)C1.
What is the InChIKey of (2S)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-5-(diaminomethylideneamino)pentanoic acid?
The InChIKey is NCWYQCYBBLSJSZ-MLWJPKLSSA-N. The full InChI is InChI=1S/C11H19N5O4/c12-9(18)6-4-8(17)16(5-6)7(10(19)20)2-1-3-15-11(13)14/h6-7H,1-5H2,(H2,12,18)(H,19,20)(H4,13,14,15)/t6?,7-/m0/s1.
What are the key properties of (2S)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-5-(diaminomethylideneamino)pentanoic acid?
(2S)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-5-(diaminomethylideneamino)pentanoic acid has a molecular weight of 285.30 g/mol, XLogP of -2.17, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-5-(diaminomethylideneamino)pentanoic acid is sourced from PubChem (CID 168695905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).