(2R)-3-methyl-2-[(1-propan-2-ylcyclopropyl)methylcarbamoylamino]butanoic acid

C13H24N2O3 — CID 114114328

IUPAC(2R)-3-methyl-2-[(1-propan-2-ylcyclopropyl)methylcarbamoylamino]butanoic acid
SMILESCC(C)[C@@H](NC(=O)NCC1(C(C)C)CC1)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-8(2)10(11(16)17)15-12(18)14-7-13(5-6-13)9(3)4/h8-10H,5-7H2,1-4H3,(H,16,17)(H2,14,15,18)/t10-/m1/s1
InChIKeyFSICFXVNVMUGFF-SNVBAGLBSA-N
MW256.35 g/mol
LogP1.83
Rot. Bonds6

About (2R)-3-methyl-2-[(1-propan-2-ylcyclopropyl)methylcarbamoylamino]butanoic acid

(2R)-3-methyl-2-[(1-propan-2-ylcyclopropyl)methylcarbamoylamino]butanoic acid (PubChem CID 114114328) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is (2R)-3-methyl-2-[(1-propan-2-ylcyclopropyl)methylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name(2R)-3-methyl-2-[(1-propan-2-ylcyclopropyl)methylcarbamoylamino]butanoic acid
PubChem CID114114328
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name(2R)-3-methyl-2-[(1-propan-2-ylcyclopropyl)methylcarbamoylamino]butanoic acid
SMILESCC(C)[C@@H](NC(=O)NCC1(C(C)C)CC1)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-8(2)10(11(16)17)15-12(18)14-7-13(5-6-13)9(3)4/h8-10H,5-7H2,1-4H3,(H,16,17)(H2,14,15,18)/t10-/m1/s1
InChIKeyFSICFXVNVMUGFF-SNVBAGLBSA-N
XLogP1.83
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze (2R)-3-methyl-2-[(1-propan-2-ylcyclopropyl)methylcarbamoylamino]butanoic acid with MolForge

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Related Compounds

2-[(1-propan-2-ylcyclopropyl)methylcarbamoylamino]pent-4-enoic acid
CID 114114312
(2S)-2-(2,3-dimethylbutylcarbamoylamino)-3-methylbutanoic acid
CID 64598628
(2S)-3-methyl-2-[3-(methylamino)propylcarbamoylamino]butanoic acid
CID 61404306
(E)-4-oxo-4-[(1-propan-2-ylcyclopropyl)methylcarbamoylamino]but-2-enoic acid
CID 114114061
2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]propanamide
CID 103742398
(2R)-2-[(2-amino-2-oxoethyl)carbamoylamino]-3-methylbutanoic acid
CID 30071784
(2S)-2-[(2-amino-2-oxoethyl)carbamoylamino]-3-methylbutanoic acid
CID 30071787
2-(2,2-difluoroethylcarbamoylamino)-3-methylbutanoic acid
CID 115408104
3-methyl-2-(prop-2-ynylcarbamoylamino)butanoic acid
CID 24703795
(2S)-2-[(4-ethylphenyl)methylcarbamoylamino]-3-methylbutanoic acid
CID 103995681
3-methyl-2-(prop-2-enylcarbamoylamino)butanoic acid
CID 3947242
(2R)-3-methyl-2-(2,2,2-trifluoroethylcarbamoylamino)butanoic acid
CID 79010445

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[(1-propan-2-ylcyclopropyl)methylcarbamoylamino]butanoic acid?
The IUPAC name of (2R)-3-methyl-2-[(1-propan-2-ylcyclopropyl)methylcarbamoylamino]butanoic acid (CID 114114328) is (2R)-3-methyl-2-[(1-propan-2-ylcyclopropyl)methylcarbamoylamino]butanoic acid.
What is the SMILES notation for (2R)-3-methyl-2-[(1-propan-2-ylcyclopropyl)methylcarbamoylamino]butanoic acid?
The canonical SMILES for (2R)-3-methyl-2-[(1-propan-2-ylcyclopropyl)methylcarbamoylamino]butanoic acid is CC(C)[C@@H](NC(=O)NCC1(C(C)C)CC1)C(=O)O.
What is the InChIKey of (2R)-3-methyl-2-[(1-propan-2-ylcyclopropyl)methylcarbamoylamino]butanoic acid?
The InChIKey is FSICFXVNVMUGFF-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-8(2)10(11(16)17)15-12(18)14-7-13(5-6-13)9(3)4/h8-10H,5-7H2,1-4H3,(H,16,17)(H2,14,15,18)/t10-/m1/s1.
What are the key properties of (2R)-3-methyl-2-[(1-propan-2-ylcyclopropyl)methylcarbamoylamino]butanoic acid?
(2R)-3-methyl-2-[(1-propan-2-ylcyclopropyl)methylcarbamoylamino]butanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.83, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-[(1-propan-2-ylcyclopropyl)methylcarbamoylamino]butanoic acid is sourced from PubChem (CID 114114328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).