(4S)-4-amino-5-(carboxyamino)pentanoic acid

C6H12N2O4 — CID 137349854

IUPAC(4S)-4-amino-5-(carboxyamino)pentanoic acid
SMILESN[C@@H](CCC(=O)O)CNC(=O)O
InChIInChI=1S/C6H12N2O4/c7-4(1-2-5(9)10)3-8-6(11)12/h4,8H,1-3,7H2,(H,9,10)(H,11,12)/t4-/m0/s1
InChIKeyOFEONCRDIBQIKF-BYPYZUCNSA-N
MW176.17 g/mol
LogP-0.55
Rot. Bonds5

About (4S)-4-amino-5-(carboxyamino)pentanoic acid

(4S)-4-amino-5-(carboxyamino)pentanoic acid (PubChem CID 137349854) has the molecular formula C6H12N2O4 and a molecular weight of 176.17 g/mol. Its IUPAC name is (4S)-4-amino-5-(carboxyamino)pentanoic acid.

Molecular Properties

Compound Name(4S)-4-amino-5-(carboxyamino)pentanoic acid
PubChem CID137349854
Molecular FormulaC6H12N2O4
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC Name(4S)-4-amino-5-(carboxyamino)pentanoic acid
SMILESN[C@@H](CCC(=O)O)CNC(=O)O
InChIInChI=1S/C6H12N2O4/c7-4(1-2-5(9)10)3-8-6(11)12/h4,8H,1-3,7H2,(H,9,10)(H,11,12)/t4-/m0/s1
InChIKeyOFEONCRDIBQIKF-BYPYZUCNSA-N
XLogP-0.55
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 5-0.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-5-(carboxyamino)pentanoic acid?
The IUPAC name of (4S)-4-amino-5-(carboxyamino)pentanoic acid (CID 137349854) is (4S)-4-amino-5-(carboxyamino)pentanoic acid.
What is the SMILES notation for (4S)-4-amino-5-(carboxyamino)pentanoic acid?
The canonical SMILES for (4S)-4-amino-5-(carboxyamino)pentanoic acid is N[C@@H](CCC(=O)O)CNC(=O)O.
What is the InChIKey of (4S)-4-amino-5-(carboxyamino)pentanoic acid?
The InChIKey is OFEONCRDIBQIKF-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H12N2O4/c7-4(1-2-5(9)10)3-8-6(11)12/h4,8H,1-3,7H2,(H,9,10)(H,11,12)/t4-/m0/s1.
What are the key properties of (4S)-4-amino-5-(carboxyamino)pentanoic acid?
(4S)-4-amino-5-(carboxyamino)pentanoic acid has a molecular weight of 176.17 g/mol, XLogP of -0.55, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-5-(carboxyamino)pentanoic acid is sourced from PubChem (CID 137349854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).