(2S)-2-amino-5-formamido-5-oxopentanoic acid

C6H10N2O4 — CID 54145415

IUPAC(2S)-2-amino-5-formamido-5-oxopentanoic acid
SMILESN[C@@H](CCC(=O)NC=O)C(=O)O
InChIInChI=1S/C6H10N2O4/c7-4(6(11)12)1-2-5(10)8-3-9/h3-4H,1-2,7H2,(H,11,12)(H,8,9,10)/t4-/m0/s1
InChIKeyOEAODTGJRPLMHY-BYPYZUCNSA-N
MW174.16 g/mol
LogP-1.55
Rot. Bonds5

About (2S)-2-amino-5-formamido-5-oxopentanoic acid

(2S)-2-amino-5-formamido-5-oxopentanoic acid (PubChem CID 54145415) has the molecular formula C6H10N2O4 and a molecular weight of 174.16 g/mol. Its IUPAC name is (2S)-2-amino-5-formamido-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-formamido-5-oxopentanoic acid
PubChem CID54145415
Molecular FormulaC6H10N2O4
Molecular Weight174.16 g/mol
Exact Mass174.06
IUPAC Name(2S)-2-amino-5-formamido-5-oxopentanoic acid
SMILESN[C@@H](CCC(=O)NC=O)C(=O)O
InChIInChI=1S/C6H10N2O4/c7-4(6(11)12)1-2-5(10)8-3-9/h3-4H,1-2,7H2,(H,11,12)(H,8,9,10)/t4-/m0/s1
InChIKeyOEAODTGJRPLMHY-BYPYZUCNSA-N
XLogP-1.55
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 5-1.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-formylpentanamide
CID 143583899
(2R)-2-amino-4-formamido-4-oxobutanoic acid
CID 131868745
2-amino-5-oxo-5-(1-oxopropan-2-ylamino)pentanoic acid
CID 22152590
(2S)-2-amino-5-oxo-5-(propan-2-ylamino)pentanoic acid
CID 6993184
(2R)-2-aminopentanedioic acid;formamide
CID 87175197
2-amino-5-[(2-amino-3-sulfanylpropanoyl)amino]-5-oxopentanoic acid
CID 131750738
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
2-aminopentanedioic acid
CID 611
2-amino-5-(ethylamino)-5-oxopentanoic acid;hydrochloride
CID 73408744
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
(2S)-2-amino-5-(decanoylamino)-5-oxopentanoic acid
CID 126740893
2-[(4-amino-4-carboxybutanoyl)amino]butanedioic acid
CID 5122061

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-formamido-5-oxopentanoic acid?
The IUPAC name of (2S)-2-amino-5-formamido-5-oxopentanoic acid (CID 54145415) is (2S)-2-amino-5-formamido-5-oxopentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-formamido-5-oxopentanoic acid?
The canonical SMILES for (2S)-2-amino-5-formamido-5-oxopentanoic acid is N[C@@H](CCC(=O)NC=O)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-formamido-5-oxopentanoic acid?
The InChIKey is OEAODTGJRPLMHY-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H10N2O4/c7-4(6(11)12)1-2-5(10)8-3-9/h3-4H,1-2,7H2,(H,11,12)(H,8,9,10)/t4-/m0/s1.
What are the key properties of (2S)-2-amino-5-formamido-5-oxopentanoic acid?
(2S)-2-amino-5-formamido-5-oxopentanoic acid has a molecular weight of 174.16 g/mol, XLogP of -1.55, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-formamido-5-oxopentanoic acid is sourced from PubChem (CID 54145415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).