4-formamido-2-(1-hydroxyhexylamino)butanoic acid

C11H22N2O4 — CID 90975328

IUPAC4-formamido-2-(1-hydroxyhexylamino)butanoic acid
SMILESCCCCCC(O)NC(CCNC=O)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-2-3-4-5-10(15)13-9(11(16)17)6-7-12-8-14/h8-10,13,15H,2-7H2,1H3,(H,12,14)(H,16,17)
InChIKeyQSSLJGLMJGWUTH-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.06
Rot. Bonds11

About 4-formamido-2-(1-hydroxyhexylamino)butanoic acid

4-formamido-2-(1-hydroxyhexylamino)butanoic acid (PubChem CID 90975328) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-formamido-2-(1-hydroxyhexylamino)butanoic acid.

Molecular Properties

Compound Name4-formamido-2-(1-hydroxyhexylamino)butanoic acid
PubChem CID90975328
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name4-formamido-2-(1-hydroxyhexylamino)butanoic acid
SMILESCCCCCC(O)NC(CCNC=O)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-2-3-4-5-10(15)13-9(11(16)17)6-7-12-8-14/h8-10,13,15H,2-7H2,1H3,(H,12,14)(H,16,17)
InChIKeyQSSLJGLMJGWUTH-UHFFFAOYSA-N
XLogP0.06
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-formamido-2-(1-hydroxyhexylamino)butanoic 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

4-formamido-2-(pentanoylamino)butanoic acid
CID 57320299
(2R)-3-hydroxy-2-(1-hydroxypentylamino)propanoic acid
CID 87078659
2-(dodecan-6-ylamino)-6-oxohexanoic acid
CID 139934879
2-(propan-2-ylamino)heptanoic acid
CID 43754297
(2S)-2-aminopropanoic acid;N-octylformamide
CID 87695548
N-(1-hydroxyhexyl)formamide
CID 54387531
N-(3-hydroxyhexyl)formamide
CID 54084231
2-(1-carboxypentylamino)hexanoic acid
CID 22643835
2-(pentylamino)octanoic acid
CID 129188286
N-[(Z)-4-hydroxydocos-13-enyl]formamide
CID 155296496
N-(5-heptyltridecyl)formamide
CID 166649045
2-[2-(1-carboxynonylamino)ethylamino]decanoic acid
CID 86120299

Frequently Asked Questions

What is the IUPAC name of 4-formamido-2-(1-hydroxyhexylamino)butanoic acid?
The IUPAC name of 4-formamido-2-(1-hydroxyhexylamino)butanoic acid (CID 90975328) is 4-formamido-2-(1-hydroxyhexylamino)butanoic acid.
What is the SMILES notation for 4-formamido-2-(1-hydroxyhexylamino)butanoic acid?
The canonical SMILES for 4-formamido-2-(1-hydroxyhexylamino)butanoic acid is CCCCCC(O)NC(CCNC=O)C(=O)O.
What is the InChIKey of 4-formamido-2-(1-hydroxyhexylamino)butanoic acid?
The InChIKey is QSSLJGLMJGWUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-2-3-4-5-10(15)13-9(11(16)17)6-7-12-8-14/h8-10,13,15H,2-7H2,1H3,(H,12,14)(H,16,17).
What are the key properties of 4-formamido-2-(1-hydroxyhexylamino)butanoic acid?
4-formamido-2-(1-hydroxyhexylamino)butanoic acid has a molecular weight of 246.31 g/mol, XLogP of 0.06, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formamido-2-(1-hydroxyhexylamino)butanoic acid is sourced from PubChem (CID 90975328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).