2-(cyclopropylcarbamoyl)-2-methylpentanoic acid

C10H17NO3 — CID 114900437

IUPAC2-(cyclopropylcarbamoyl)-2-methylpentanoic acid
SMILESCCCC(C)(C(=O)O)C(=O)NC1CC1
InChIInChI=1S/C10H17NO3/c1-3-6-10(2,9(13)14)8(12)11-7-4-5-7/h7H,3-6H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyWMGKLAAQANHLSY-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.16
Rot. Bonds5

About 2-(cyclopropylcarbamoyl)-2-methylpentanoic acid

2-(cyclopropylcarbamoyl)-2-methylpentanoic acid (PubChem CID 114900437) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-(cyclopropylcarbamoyl)-2-methylpentanoic acid.

Molecular Properties

Compound Name2-(cyclopropylcarbamoyl)-2-methylpentanoic acid
PubChem CID114900437
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2-(cyclopropylcarbamoyl)-2-methylpentanoic acid
SMILESCCCC(C)(C(=O)O)C(=O)NC1CC1
InChIInChI=1S/C10H17NO3/c1-3-6-10(2,9(13)14)8(12)11-7-4-5-7/h7H,3-6H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyWMGKLAAQANHLSY-UHFFFAOYSA-N
XLogP1.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylcarbamoyl)-2-methylundecanoic acid
CID 114900288
2-(cyclopropylcarbamoyl)-2-methyl-4-propoxybutanoic acid
CID 106460149
2-(cyclopropylcarbamoyl)-4-hydroxy-2,4-dimethylpentanoic acid
CID 114900486
2-(cyclopropylcarbamoyl)-4-hydroxy-2,5,5-trimethylhexanoic acid
CID 114265376
2-(cyclopropylcarbamoyl)-5,5,5-trifluoro-4-hydroxy-2-methylpentanoic acid
CID 114900368
4-(4-bromophenoxy)-2-(cyclopropylcarbamoyl)-2-methylbutanoic acid
CID 114900440
3-(cyclopropylamino)-2-methyl-3-oxo-2-(oxolan-2-ylmethyl)propanoic acid
CID 114900280
2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]-2-methylpentanoic acid
CID 43619805
2-hydroxy-2-methyl-N-(4-propylcyclohexyl)propanamide
CID 103429701
(2S)-2-amino-N-cyclopropyl-2-hydroxyhexanamide
CID 69258159
3-(cyclopropylamino)-2-methyl-3-oxo-2-(1,3-thiazol-5-ylmethyl)propanoic acid
CID 114900382
2-[(5-chlorothiophen-2-yl)methyl]-3-(cyclopropylamino)-2-methyl-3-oxopropanoic acid
CID 114900410

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylcarbamoyl)-2-methylpentanoic acid?
The IUPAC name of 2-(cyclopropylcarbamoyl)-2-methylpentanoic acid (CID 114900437) is 2-(cyclopropylcarbamoyl)-2-methylpentanoic acid.
What is the SMILES notation for 2-(cyclopropylcarbamoyl)-2-methylpentanoic acid?
The canonical SMILES for 2-(cyclopropylcarbamoyl)-2-methylpentanoic acid is CCCC(C)(C(=O)O)C(=O)NC1CC1.
What is the InChIKey of 2-(cyclopropylcarbamoyl)-2-methylpentanoic acid?
The InChIKey is WMGKLAAQANHLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-6-10(2,9(13)14)8(12)11-7-4-5-7/h7H,3-6H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 2-(cyclopropylcarbamoyl)-2-methylpentanoic acid?
2-(cyclopropylcarbamoyl)-2-methylpentanoic acid has a molecular weight of 199.25 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylcarbamoyl)-2-methylpentanoic acid is sourced from PubChem (CID 114900437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).