4-formamido-2-(pentanoylamino)butanoic acid

C10H18N2O4 — CID 57320299

IUPAC4-formamido-2-(pentanoylamino)butanoic acid
SMILESCCCCC(=O)NC(CCNC=O)C(=O)O
InChIInChI=1S/C10H18N2O4/c1-2-3-4-9(14)12-8(10(15)16)5-6-11-7-13/h7-8H,2-6H2,1H3,(H,11,13)(H,12,14)(H,15,16)
InChIKeyWDUKRKZOXRXRHB-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.12
Rot. Bonds9

About 4-formamido-2-(pentanoylamino)butanoic acid

4-formamido-2-(pentanoylamino)butanoic acid (PubChem CID 57320299) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 4-formamido-2-(pentanoylamino)butanoic acid.

Molecular Properties

Compound Name4-formamido-2-(pentanoylamino)butanoic acid
PubChem CID57320299
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name4-formamido-2-(pentanoylamino)butanoic acid
SMILESCCCCC(=O)NC(CCNC=O)C(=O)O
InChIInChI=1S/C10H18N2O4/c1-2-3-4-9(14)12-8(10(15)16)5-6-11-7-13/h7-8H,2-6H2,1H3,(H,11,13)(H,12,14)(H,15,16)
InChIKeyWDUKRKZOXRXRHB-UHFFFAOYSA-N
XLogP-0.12
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-formamido-2-(pentanoylamino)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

(2S)-2-(hexanoylamino)hexanoic acid
CID 22214794
4-formamido-2-(1-hydroxyhexylamino)butanoic acid
CID 90975328
(2S)-2-(butanoylamino)-5-oxopentanoic acid
CID 174872507
(2S)-2-(hexanoylamino)pentanedioic acid
CID 54368145
2-(butanoylamino)-5-oxopentanoic acid
CID 123955857
2-(18-oxooctadecanoylamino)pentanoic acid
CID 123209154
2-(6-acetamidohexanoylamino)hexanoic acid
CID 43469673
2-(dodecanoylamino)pentanedioic acid;bis(hexane)
CID 175093348
2-(4-hydroxybutanoylamino)heptanoic acid
CID 170404241
4-hydroxy-2-(nonanoylamino)butanoic acid
CID 61242764
(2S)-2-(dodecanoylamino)-4-hydroxybutanoic acid
CID 54204964
(2S)-2-(tetradecanoylamino)pentanedioic acid
CID 18634845

Frequently Asked Questions

What is the IUPAC name of 4-formamido-2-(pentanoylamino)butanoic acid?
The IUPAC name of 4-formamido-2-(pentanoylamino)butanoic acid (CID 57320299) is 4-formamido-2-(pentanoylamino)butanoic acid.
What is the SMILES notation for 4-formamido-2-(pentanoylamino)butanoic acid?
The canonical SMILES for 4-formamido-2-(pentanoylamino)butanoic acid is CCCCC(=O)NC(CCNC=O)C(=O)O.
What is the InChIKey of 4-formamido-2-(pentanoylamino)butanoic acid?
The InChIKey is WDUKRKZOXRXRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-2-3-4-9(14)12-8(10(15)16)5-6-11-7-13/h7-8H,2-6H2,1H3,(H,11,13)(H,12,14)(H,15,16).
What are the key properties of 4-formamido-2-(pentanoylamino)butanoic acid?
4-formamido-2-(pentanoylamino)butanoic acid has a molecular weight of 230.26 g/mol, XLogP of -0.12, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formamido-2-(pentanoylamino)butanoic acid is sourced from PubChem (CID 57320299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).