(2R)-2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid

C12H22N2O3 — CID 78976157

IUPAC(2R)-2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid
SMILESCCN(C(=O)N[C@H](CC(C)C)C(=O)O)C1CC1
InChIInChI=1S/C12H22N2O3/c1-4-14(9-5-6-9)12(17)13-10(11(15)16)7-8(2)3/h8-10H,4-7H2,1-3H3,(H,13,17)(H,15,16)/t10-/m1/s1
InChIKeyIBDZAAIJYHKAIB-SNVBAGLBSA-N
MW242.32 g/mol
LogP1.68
Rot. Bonds6

About (2R)-2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid

(2R)-2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid (PubChem CID 78976157) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is (2R)-2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid
PubChem CID78976157
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name(2R)-2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid
SMILESCCN(C(=O)N[C@H](CC(C)C)C(=O)O)C1CC1
InChIInChI=1S/C12H22N2O3/c1-4-14(9-5-6-9)12(17)13-10(11(15)16)7-8(2)3/h8-10H,4-7H2,1-3H3,(H,13,17)(H,15,16)/t10-/m1/s1
InChIKeyIBDZAAIJYHKAIB-SNVBAGLBSA-N
XLogP1.68
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[cyclohexyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976340
(2R)-2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976332
(2S)-2-[[cyclopropyl(methyl)carbamoyl]amino]-4-methylpentanoic acid
CID 61195446
2-[[cyclopropyl(ethyl)carbamoyl]amino]pentanoic acid
CID 61196558
4-amino-2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 61194306
2-[[cyclohexyl(ethyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 61190467
2-[[cyclopentyl(ethyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 61227565
(2R)-2-[[ethyl(propan-2-yl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976183
(2R)-4-amino-2-[[cyclopentyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107826230
2-(dimethylcarbamoylamino)-4-methylpentanoic acid
CID 61194019
(2R)-2-[[ethyl(2-methylpropyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976291
4-methyl-2-[[methyl(propan-2-yl)carbamoyl]amino]pentanoic acid
CID 61181963

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid (CID 78976157) is (2R)-2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid is CCN(C(=O)N[C@H](CC(C)C)C(=O)O)C1CC1.
What is the InChIKey of (2R)-2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid?
The InChIKey is IBDZAAIJYHKAIB-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-4-14(9-5-6-9)12(17)13-10(11(15)16)7-8(2)3/h8-10H,4-7H2,1-3H3,(H,13,17)(H,15,16)/t10-/m1/s1.
What are the key properties of (2R)-2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid?
(2R)-2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid has a molecular weight of 242.32 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 78976157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).