(3R)-3-[[(1S,2S)-2-cyclopropylcyclopropanecarbonyl]amino]-3-methylpentanoic acid

C13H21NO3 — CID 125148612

IUPAC(3R)-3-[[(1S,2S)-2-cyclopropylcyclopropanecarbonyl]amino]-3-methylpentanoic acid
SMILESCC[C@](C)(CC(=O)O)NC(=O)[C@H]1C[C@H]1C1CC1
InChIInChI=1S/C13H21NO3/c1-3-13(2,7-11(15)16)14-12(17)10-6-9(10)8-4-5-8/h8-10H,3-7H2,1-2H3,(H,14,17)(H,15,16)/t9-,10-,13+/m0/s1
InChIKeyJQCXNEOCUUUZRG-OUJBWJOFSA-N
MW239.31 g/mol
LogP1.79
Rot. Bonds6

About (3R)-3-[[(1S,2S)-2-cyclopropylcyclopropanecarbonyl]amino]-3-methylpentanoic acid

(3R)-3-[[(1S,2S)-2-cyclopropylcyclopropanecarbonyl]amino]-3-methylpentanoic acid (PubChem CID 125148612) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is (3R)-3-[[(1S,2S)-2-cyclopropylcyclopropanecarbonyl]amino]-3-methylpentanoic acid.

Molecular Properties

Compound Name(3R)-3-[[(1S,2S)-2-cyclopropylcyclopropanecarbonyl]amino]-3-methylpentanoic acid
PubChem CID125148612
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name(3R)-3-[[(1S,2S)-2-cyclopropylcyclopropanecarbonyl]amino]-3-methylpentanoic acid
SMILESCC[C@](C)(CC(=O)O)NC(=O)[C@H]1C[C@H]1C1CC1
InChIInChI=1S/C13H21NO3/c1-3-13(2,7-11(15)16)14-12(17)10-6-9(10)8-4-5-8/h8-10H,3-7H2,1-2H3,(H,14,17)(H,15,16)/t9-,10-,13+/m0/s1
InChIKeyJQCXNEOCUUUZRG-OUJBWJOFSA-N
XLogP1.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R)-3-[[(1S,2S)-2-cyclopropylcyclopropanecarbonyl]amino]-3-methylpentanoic 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

(3S)-3-[[(1R,2R)-2-cyclopropylcyclopropanecarbonyl]amino]-4-methoxy-3-methylbutanoic acid
CID 124684943
(3R)-3-methyl-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]pentanoic acid
CID 129446298
(3R)-3-methyl-3-[[(1S,2R,4S,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]pentanoic acid
CID 98891185
3-(3-cyclopropylpropanoylamino)-3-methylpentanoic acid
CID 115730882
2-(4-chlorophenyl)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]butanoic acid
CID 120977883
cis-(1R,2S)-2-cyclopropyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 171756340
2-[(1-hydroxy-2-methylbutan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978846
(3R)-3-methyl-3-[[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid
CID 124685172
N-(1-chloro-2-methylbutan-2-yl)cyclopropanecarboxamide
CID 114303630
3-methyl-3-(2-methylbutanoylamino)pentanoic acid
CID 84589310
N-(1-amino-2-methylbutan-2-yl)cyclopropanecarboxamide
CID 64551544
cis-(1S,2R)-2-[(1-hydroxy-3-methylpentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 106167862

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[(1S,2S)-2-cyclopropylcyclopropanecarbonyl]amino]-3-methylpentanoic acid?
The IUPAC name of (3R)-3-[[(1S,2S)-2-cyclopropylcyclopropanecarbonyl]amino]-3-methylpentanoic acid (CID 125148612) is (3R)-3-[[(1S,2S)-2-cyclopropylcyclopropanecarbonyl]amino]-3-methylpentanoic acid.
What is the SMILES notation for (3R)-3-[[(1S,2S)-2-cyclopropylcyclopropanecarbonyl]amino]-3-methylpentanoic acid?
The canonical SMILES for (3R)-3-[[(1S,2S)-2-cyclopropylcyclopropanecarbonyl]amino]-3-methylpentanoic acid is CC[C@](C)(CC(=O)O)NC(=O)[C@H]1C[C@H]1C1CC1.
What is the InChIKey of (3R)-3-[[(1S,2S)-2-cyclopropylcyclopropanecarbonyl]amino]-3-methylpentanoic acid?
The InChIKey is JQCXNEOCUUUZRG-OUJBWJOFSA-N. The full InChI is InChI=1S/C13H21NO3/c1-3-13(2,7-11(15)16)14-12(17)10-6-9(10)8-4-5-8/h8-10H,3-7H2,1-2H3,(H,14,17)(H,15,16)/t9-,10-,13+/m0/s1.
What are the key properties of (3R)-3-[[(1S,2S)-2-cyclopropylcyclopropanecarbonyl]amino]-3-methylpentanoic acid?
(3R)-3-[[(1S,2S)-2-cyclopropylcyclopropanecarbonyl]amino]-3-methylpentanoic acid has a molecular weight of 239.31 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[(1S,2S)-2-cyclopropylcyclopropanecarbonyl]amino]-3-methylpentanoic acid is sourced from PubChem (CID 125148612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).