2-(cyclopropylcarbamoyl)-2-methylundecanoic acid

C16H29NO3 — CID 114900288

IUPAC2-(cyclopropylcarbamoyl)-2-methylundecanoic acid
SMILESCCCCCCCCCC(C)(C(=O)O)C(=O)NC1CC1
InChIInChI=1S/C16H29NO3/c1-3-4-5-6-7-8-9-12-16(2,15(19)20)14(18)17-13-10-11-13/h13H,3-12H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyFEPFODNUEJQSOH-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.50
Rot. Bonds11

About 2-(cyclopropylcarbamoyl)-2-methylundecanoic acid

2-(cyclopropylcarbamoyl)-2-methylundecanoic acid (PubChem CID 114900288) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 2-(cyclopropylcarbamoyl)-2-methylundecanoic acid.

Molecular Properties

Compound Name2-(cyclopropylcarbamoyl)-2-methylundecanoic acid
PubChem CID114900288
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name2-(cyclopropylcarbamoyl)-2-methylundecanoic acid
SMILESCCCCCCCCCC(C)(C(=O)O)C(=O)NC1CC1
InChIInChI=1S/C16H29NO3/c1-3-4-5-6-7-8-9-12-16(2,15(19)20)14(18)17-13-10-11-13/h13H,3-12H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyFEPFODNUEJQSOH-UHFFFAOYSA-N
XLogP3.50
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopropylcarbamoyl)-2-methylpentanoic acid
CID 114900437
2-(cyclopropylcarbamoyl)-2-methyl-4-propoxybutanoic acid
CID 106460149
2-heptyl-2-methylpropanedioic acid
CID 89147986
2-(butylcarbamoyl)-2-methyloctanoic acid
CID 140981558
2-(cyclopropylcarbamoyl)-4-hydroxy-2,4-dimethylpentanoic acid
CID 114900486
2-(cyclopropylcarbamoyl)-5,5,5-trifluoro-4-hydroxy-2-methylpentanoic acid
CID 114900368
(2S)-2-amino-N-cyclopropyl-2-hydroxyhexanamide
CID 69258159
2-(cyclopropylcarbamoyl)-4-hydroxy-2,5,5-trimethylhexanoic acid
CID 114265376
2-cyclopropyl-2-methyltetradecanoic acid
CID 83147793
2-butyl-2-methyl-N-(oxetan-3-yl)octanamide
CID 166929459
(2R)-2-hydroxy-2-methyloctadecanoic acid
CID 172684339
2-hydroxy-2-methylheptadecanoic acid
CID 19591844

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylcarbamoyl)-2-methylundecanoic acid?
The IUPAC name of 2-(cyclopropylcarbamoyl)-2-methylundecanoic acid (CID 114900288) is 2-(cyclopropylcarbamoyl)-2-methylundecanoic acid.
What is the SMILES notation for 2-(cyclopropylcarbamoyl)-2-methylundecanoic acid?
The canonical SMILES for 2-(cyclopropylcarbamoyl)-2-methylundecanoic acid is CCCCCCCCCC(C)(C(=O)O)C(=O)NC1CC1.
What is the InChIKey of 2-(cyclopropylcarbamoyl)-2-methylundecanoic acid?
The InChIKey is FEPFODNUEJQSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-3-4-5-6-7-8-9-12-16(2,15(19)20)14(18)17-13-10-11-13/h13H,3-12H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-(cyclopropylcarbamoyl)-2-methylundecanoic acid?
2-(cyclopropylcarbamoyl)-2-methylundecanoic acid has a molecular weight of 283.41 g/mol, XLogP of 3.50, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylcarbamoyl)-2-methylundecanoic acid is sourced from PubChem (CID 114900288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).