2-[cyclopropyl(nonanoyl)amino]acetic acid

C14H25NO3 — CID 54945844

IUPAC2-[cyclopropyl(nonanoyl)amino]acetic acid
SMILESCCCCCCCCC(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C14H25NO3/c1-2-3-4-5-6-7-8-13(16)15(11-14(17)18)12-9-10-12/h12H,2-11H2,1H3,(H,17,18)
InChIKeySZYAIIZAELWSJN-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.81
Rot. Bonds10

About 2-[cyclopropyl(nonanoyl)amino]acetic acid

2-[cyclopropyl(nonanoyl)amino]acetic acid (PubChem CID 54945844) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[cyclopropyl(nonanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl(nonanoyl)amino]acetic acid
PubChem CID54945844
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2-[cyclopropyl(nonanoyl)amino]acetic acid
SMILESCCCCCCCCC(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C14H25NO3/c1-2-3-4-5-6-7-8-13(16)15(11-14(17)18)12-9-10-12/h12H,2-11H2,1H3,(H,17,18)
InChIKeySZYAIIZAELWSJN-UHFFFAOYSA-N
XLogP2.81
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[cyclopropyl(hexanoyl)amino]propanoic acid
CID 60843685
2-[methyl(nonadecanoyl)amino]acetic acid
CID 13318293
N-(2-chloroethyl)-N-cyclopropylnonanamide
CID 65426813
N-(3-aminopropyl)-N-cyclopropyloctanamide
CID 43136708
2-[carboxymethyl(octadecanoyl)amino]acetic acid
CID 13060866
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyldecanamide
CID 65447661
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyloctanamide
CID 54996806
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropylnonanamide
CID 65447660
azane;2-[carboxymethyl(dodecanoyl)amino]acetic acid
CID 173442043
potassium;sodium;2-[dodecanoyl(methyl)amino]acetic acid;hydride
CID 174463731
N-(2-bromoethyl)-N-cyclobutyloctanamide
CID 102873095
N-(2-aminoethyl)-N-cyclobutylheptanamide
CID 102874052

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(nonanoyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl(nonanoyl)amino]acetic acid (CID 54945844) is 2-[cyclopropyl(nonanoyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl(nonanoyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl(nonanoyl)amino]acetic acid is CCCCCCCCC(=O)N(CC(=O)O)C1CC1.
What is the InChIKey of 2-[cyclopropyl(nonanoyl)amino]acetic acid?
The InChIKey is SZYAIIZAELWSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-2-3-4-5-6-7-8-13(16)15(11-14(17)18)12-9-10-12/h12H,2-11H2,1H3,(H,17,18).
What are the key properties of 2-[cyclopropyl(nonanoyl)amino]acetic acid?
2-[cyclopropyl(nonanoyl)amino]acetic acid has a molecular weight of 255.36 g/mol, XLogP of 2.81, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(nonanoyl)amino]acetic acid is sourced from PubChem (CID 54945844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).