4-carbamoyl-2-pentylnonanoic acid

C15H29NO3 — CID 20609426

IUPAC4-carbamoyl-2-pentylnonanoic acid
SMILESCCCCCC(CC(CCCCC)C(=O)O)C(N)=O
InChIInChI=1S/C15H29NO3/c1-3-5-7-9-12(14(16)17)11-13(15(18)19)10-8-6-4-2/h12-13H,3-11H2,1-2H3,(H2,16,17)(H,18,19)
InChIKeyQYGMDUDQKLJBTB-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.34
Rot. Bonds12

About 4-carbamoyl-2-pentylnonanoic acid

4-carbamoyl-2-pentylnonanoic acid (PubChem CID 20609426) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 4-carbamoyl-2-pentylnonanoic acid.

Molecular Properties

Compound Name4-carbamoyl-2-pentylnonanoic acid
PubChem CID20609426
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name4-carbamoyl-2-pentylnonanoic acid
SMILESCCCCCC(CC(CCCCC)C(=O)O)C(N)=O
InChIInChI=1S/C15H29NO3/c1-3-5-7-9-12(14(16)17)11-13(15(18)19)10-8-6-4-2/h12-13H,3-11H2,1-2H3,(H2,16,17)(H,18,19)
InChIKeyQYGMDUDQKLJBTB-UHFFFAOYSA-N
XLogP3.34
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-nonyl-4-tridecylpentanedioic acid
CID 87929882
2-hexyloctanamide
CID 87302701
2-octyldecanamide
CID 19104479
2-dodecylnonadecanamide
CID 175503182
5-carbamoyl-2-hexadecyl-4-methylhenicosanoic acid
CID 90389140
2-butyltetradecanamide
CID 57191211
2-butyldodecanamide
CID 88685822
2-heptadecylicosanoic acid
CID 57459073
2-nonyldodecanoic acid
CID 57283654
2-hexylpentacosanoic acid
CID 158257677
2-nonylpentadecanoic acid
CID 139605044
2-hexylnonanoic acid
CID 18521424

Frequently Asked Questions

What is the IUPAC name of 4-carbamoyl-2-pentylnonanoic acid?
The IUPAC name of 4-carbamoyl-2-pentylnonanoic acid (CID 20609426) is 4-carbamoyl-2-pentylnonanoic acid.
What is the SMILES notation for 4-carbamoyl-2-pentylnonanoic acid?
The canonical SMILES for 4-carbamoyl-2-pentylnonanoic acid is CCCCCC(CC(CCCCC)C(=O)O)C(N)=O.
What is the InChIKey of 4-carbamoyl-2-pentylnonanoic acid?
The InChIKey is QYGMDUDQKLJBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-3-5-7-9-12(14(16)17)11-13(15(18)19)10-8-6-4-2/h12-13H,3-11H2,1-2H3,(H2,16,17)(H,18,19).
What are the key properties of 4-carbamoyl-2-pentylnonanoic acid?
4-carbamoyl-2-pentylnonanoic acid has a molecular weight of 271.40 g/mol, XLogP of 3.34, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamoyl-2-pentylnonanoic acid is sourced from PubChem (CID 20609426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).