(2R)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]-3-methylbutanoic acid

C12H19NO3 — CID 119369099

IUPAC(2R)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]-3-methylbutanoic acid
SMILESCC(C)[C@@H](NC(=O)C1CC1C1CC1)C(=O)O
InChIInChI=1S/C12H19NO3/c1-6(2)10(12(15)16)13-11(14)9-5-8(9)7-3-4-7/h6-10H,3-5H2,1-2H3,(H,13,14)(H,15,16)/t8?,9?,10-/m1/s1
InChIKeyVMIOLESKXLGDTM-UDNWOFFPSA-N
MW225.29 g/mol
LogP1.26
Rot. Bonds5

About (2R)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]-3-methylbutanoic acid

(2R)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]-3-methylbutanoic acid (PubChem CID 119369099) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is (2R)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]-3-methylbutanoic acid
PubChem CID119369099
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name(2R)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]-3-methylbutanoic acid
SMILESCC(C)[C@@H](NC(=O)C1CC1C1CC1)C(=O)O
InChIInChI=1S/C12H19NO3/c1-6(2)10(12(15)16)13-11(14)9-5-8(9)7-3-4-7/h6-10H,3-5H2,1-2H3,(H,13,14)(H,15,16)/t8?,9?,10-/m1/s1
InChIKeyVMIOLESKXLGDTM-UDNWOFFPSA-N
XLogP1.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-cyclohexylcyclopropanecarbonyl)amino]-3-methylbutanoic acid
CID 119170208
cis-(1R,2S)-2-cyclopropyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 171756340
cis-(1S,2R)-2-[(1-carboxy-2-methylpropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114092157
3-methyl-2-[(2-methylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 79388459
(2R)-3-methyl-2-[(2-methylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 79385021
(2R)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-3-methylbutanoic acid
CID 107000447
2-(cyclohexanecarbonylamino)-3-methylbutanoic acid
CID 2958090
(2S)-2-(cyclohexanecarbonylamino)-3-methylbutanoic acid
CID 972243
(2R)-2-[(2-cyclohexylcyclopropanecarbonyl)amino]-4-methylpentanoic acid
CID 119363265
2-[(2-cyclopropylcyclopropanecarbonyl)amino]-4-methoxybutanoic acid
CID 120702696
2-(bicyclo[2.2.1]heptane-2-carbonylamino)-3-hydroxybutanoic acid
CID 43209742
2-[(2-cyclohexylcyclopropanecarbonyl)amino]butanoic acid
CID 119223837

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]-3-methylbutanoic acid (CID 119369099) is (2R)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]-3-methylbutanoic acid is CC(C)[C@@H](NC(=O)C1CC1C1CC1)C(=O)O.
What is the InChIKey of (2R)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]-3-methylbutanoic acid?
The InChIKey is VMIOLESKXLGDTM-UDNWOFFPSA-N. The full InChI is InChI=1S/C12H19NO3/c1-6(2)10(12(15)16)13-11(14)9-5-8(9)7-3-4-7/h6-10H,3-5H2,1-2H3,(H,13,14)(H,15,16)/t8?,9?,10-/m1/s1.
What are the key properties of (2R)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]-3-methylbutanoic acid?
(2R)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]-3-methylbutanoic acid has a molecular weight of 225.29 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 119369099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).