6-amino-2-[(5-amino-5-carboxypentyl)amino]-3-hydroxyhexanoic acid

C12H25N3O5 — CID 162862984

IUPAC6-amino-2-[(5-amino-5-carboxypentyl)amino]-3-hydroxyhexanoic acid
SMILESNCCCC(O)C(NCCCCC(N)C(=O)O)C(=O)O
InChIInChI=1S/C12H25N3O5/c13-6-3-5-9(16)10(12(19)20)15-7-2-1-4-8(14)11(17)18/h8-10,15-16H,1-7,13-14H2,(H,17,18)(H,19,20)
InChIKeyBXIIAVYQZFGZAI-UHFFFAOYSA-N
MW291.35 g/mol
LogP-1.29
Rot. Bonds12

About 6-amino-2-[(5-amino-5-carboxypentyl)amino]-3-hydroxyhexanoic acid

6-amino-2-[(5-amino-5-carboxypentyl)amino]-3-hydroxyhexanoic acid (PubChem CID 162862984) has the molecular formula C12H25N3O5 and a molecular weight of 291.35 g/mol. Its IUPAC name is 6-amino-2-[(5-amino-5-carboxypentyl)amino]-3-hydroxyhexanoic acid.

Molecular Properties

Compound Name6-amino-2-[(5-amino-5-carboxypentyl)amino]-3-hydroxyhexanoic acid
PubChem CID162862984
Molecular FormulaC12H25N3O5
Molecular Weight291.35 g/mol
Exact Mass291.18
IUPAC Name6-amino-2-[(5-amino-5-carboxypentyl)amino]-3-hydroxyhexanoic acid
SMILESNCCCC(O)C(NCCCCC(N)C(=O)O)C(=O)O
InChIInChI=1S/C12H25N3O5/c13-6-3-5-9(16)10(12(19)20)15-7-2-1-4-8(14)11(17)18/h8-10,15-16H,1-7,13-14H2,(H,17,18)(H,19,20)
InChIKeyBXIIAVYQZFGZAI-UHFFFAOYSA-N
XLogP-1.29
TPSA158.90 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.35
LogP ≤ 5-1.29
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-amino-2-[(5-amino-5-carboxypentyl)amino]-3-hydroxyhexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-diaminohexanoic acid;2,5-diaminopentanoic acid
CID 18793360
CID 158432126
CID 158432126
zinc 2,5-diaminopentanoic acid
CID 56838280
2,6-diamino(1,2,3,4,5,6-13C6)hexanoic acid
CID 155890004
bis(2,5-diaminopentanoic acid);trihydrochloride
CID 175233947
butane-1,4-diamine;(2S)-2,5-diaminopentanoic acid
CID 87187240
cerium;(2R)-2,5-diaminopentanoic acid
CID 175036694
2,7,10-triaminodecanoic acid
CID 141070703
4-aminobutylcarbamic acid;2,6-diaminohexanoic acid
CID 174985893
tetrakis(2,6-diaminohexanoic acid);dihydrochloride
CID 174145709
(2S)-2,6-diamino(213C)hexanoic acid;hydrochloride
CID 71309084
carbamic acid;2,5-diaminopentanoic acid
CID 22153959

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[(5-amino-5-carboxypentyl)amino]-3-hydroxyhexanoic acid?
The IUPAC name of 6-amino-2-[(5-amino-5-carboxypentyl)amino]-3-hydroxyhexanoic acid (CID 162862984) is 6-amino-2-[(5-amino-5-carboxypentyl)amino]-3-hydroxyhexanoic acid.
What is the SMILES notation for 6-amino-2-[(5-amino-5-carboxypentyl)amino]-3-hydroxyhexanoic acid?
The canonical SMILES for 6-amino-2-[(5-amino-5-carboxypentyl)amino]-3-hydroxyhexanoic acid is NCCCC(O)C(NCCCCC(N)C(=O)O)C(=O)O.
What is the InChIKey of 6-amino-2-[(5-amino-5-carboxypentyl)amino]-3-hydroxyhexanoic acid?
The InChIKey is BXIIAVYQZFGZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O5/c13-6-3-5-9(16)10(12(19)20)15-7-2-1-4-8(14)11(17)18/h8-10,15-16H,1-7,13-14H2,(H,17,18)(H,19,20).
What are the key properties of 6-amino-2-[(5-amino-5-carboxypentyl)amino]-3-hydroxyhexanoic acid?
6-amino-2-[(5-amino-5-carboxypentyl)amino]-3-hydroxyhexanoic acid has a molecular weight of 291.35 g/mol, XLogP of -1.29, 12 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[(5-amino-5-carboxypentyl)amino]-3-hydroxyhexanoic acid is sourced from PubChem (CID 162862984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).