(4S)-4,5-diamino-5-oxopentanoic acid

C10H20N4O6 — CID 22802675

IUPAC(4S)-4,5-diamino-5-oxopentanoic acid
SMILESNC(=O)[C@@H](N)CCC(=O)O.NC(=O)[C@@H](N)CCC(=O)O
InChIInChI=1S/2C5H10N2O3/c2*6-3(5(7)10)1-2-4(8)9/h2*3H,1-2,6H2,(H2,7,10)(H,8,9)/t2*3-/m00/s1
InChIKeyFQRLRBMPHBMAPZ-RUCXOUQFSA-N
MW292.29 g/mol
LogP-2.67
Rot. Bonds8

About (4S)-4,5-diamino-5-oxopentanoic acid

(4S)-4,5-diamino-5-oxopentanoic acid (PubChem CID 22802675) has the molecular formula C10H20N4O6 and a molecular weight of 292.29 g/mol. Its IUPAC name is (4S)-4,5-diamino-5-oxopentanoic acid.

Molecular Properties

Compound Name(4S)-4,5-diamino-5-oxopentanoic acid
PubChem CID22802675
Molecular FormulaC10H20N4O6
Molecular Weight292.29 g/mol
Exact Mass292.14
IUPAC Name(4S)-4,5-diamino-5-oxopentanoic acid
SMILESNC(=O)[C@@H](N)CCC(=O)O.NC(=O)[C@@H](N)CCC(=O)O
InChIInChI=1S/2C5H10N2O3/c2*6-3(5(7)10)1-2-4(8)9/h2*3H,1-2,6H2,(H2,7,10)(H,8,9)/t2*3-/m00/s1
InChIKeyFQRLRBMPHBMAPZ-RUCXOUQFSA-N
XLogP-2.67
TPSA212.82 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.29
LogP ≤ 5-2.67
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

(4R)-4,5-diamino-5-oxopentanoic acid
CID 5288447
(2S)-2-aminopropanoic acid;(4S)-4,5-diamino-5-oxopentanoic acid
CID 18640660
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
2-aminopentanedioic acid
CID 611
2-aminopentanedioic acid;bis(butanedioic acid)
CID 174955338
(2S)-2-aminopentanedioic acid;chromium
CID 87792997
(2S)-2-aminopentanedioic acid;heptahydrate
CID 156766287
(2S)-2-aminopentanedioic acid;hydrobromide
CID 87753976
(2R)-2-aminopentanedioic acid;hydrate
CID 87451212
2-aminopentanedioic acid;hexahydrate
CID 173177476
(2S)-2-aminopentanedioic acid;trihydrochloride
CID 140679884
bis(2-aminopentanedioic acid);2,5-diamino-5-oxopentanoic acid
CID 134265308

Frequently Asked Questions

What is the IUPAC name of (4S)-4,5-diamino-5-oxopentanoic acid?
The IUPAC name of (4S)-4,5-diamino-5-oxopentanoic acid (CID 22802675) is (4S)-4,5-diamino-5-oxopentanoic acid.
What is the SMILES notation for (4S)-4,5-diamino-5-oxopentanoic acid?
The canonical SMILES for (4S)-4,5-diamino-5-oxopentanoic acid is NC(=O)[C@@H](N)CCC(=O)O.NC(=O)[C@@H](N)CCC(=O)O.
What is the InChIKey of (4S)-4,5-diamino-5-oxopentanoic acid?
The InChIKey is FQRLRBMPHBMAPZ-RUCXOUQFSA-N. The full InChI is InChI=1S/2C5H10N2O3/c2*6-3(5(7)10)1-2-4(8)9/h2*3H,1-2,6H2,(H2,7,10)(H,8,9)/t2*3-/m00/s1.
What are the key properties of (4S)-4,5-diamino-5-oxopentanoic acid?
(4S)-4,5-diamino-5-oxopentanoic acid has a molecular weight of 292.29 g/mol, XLogP of -2.67, 8 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4,5-diamino-5-oxopentanoic acid is sourced from PubChem (CID 22802675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).