(2R)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-3-methylbutanoic acid

C11H19NO3 — CID 107000447

IUPAC(2R)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-3-methylbutanoic acid
SMILESCC(C)[C@@H](NC(=O)C1CC1(C)C)C(=O)O
InChIInChI=1S/C11H19NO3/c1-6(2)8(10(14)15)12-9(13)7-5-11(7,3)4/h6-8H,5H2,1-4H3,(H,12,13)(H,14,15)/t7?,8-/m1/s1
InChIKeyJPVJPYLKAMYKTR-BRFYHDHCSA-N
MW213.28 g/mol
LogP1.26
Rot. Bonds4

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

(2R)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-3-methylbutanoic acid (PubChem CID 107000447) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is (2R)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-3-methylbutanoic acid
PubChem CID107000447
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name(2R)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-3-methylbutanoic acid
SMILESCC(C)[C@@H](NC(=O)C1CC1(C)C)C(=O)O
InChIInChI=1S/C11H19NO3/c1-6(2)8(10(14)15)12-9(13)7-5-11(7,3)4/h6-8H,5H2,1-4H3,(H,12,13)(H,14,15)/t7?,8-/m1/s1
InChIKeyJPVJPYLKAMYKTR-BRFYHDHCSA-N
XLogP1.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-Acetyl-L-leucine
CID 70912
Glycyl-L-leucine
CID 92843
N-Acetyl-D-leucine
CID 1241420
L-Leucyl-L-alanine
CID 81721
L-leucyl-L-leucine
CID 76807
L-Alanyl-L-leucine
CID 96801
acetyl-DL-leucine
CID 1995
IV
CID 435949
Ile-Leu
CID 7019083
Ile-Val
CID 449407
Leucylvaline
CID 352038
Leucyl-Isoleucine
CID 435718

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-3-methylbutanoic acid (CID 107000447) is (2R)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-3-methylbutanoic acid is CC(C)[C@@H](NC(=O)C1CC1(C)C)C(=O)O.
What is the InChIKey of (2R)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-3-methylbutanoic acid?
The InChIKey is JPVJPYLKAMYKTR-BRFYHDHCSA-N. The full InChI is InChI=1S/C11H19NO3/c1-6(2)8(10(14)15)12-9(13)7-5-11(7,3)4/h6-8H,5H2,1-4H3,(H,12,13)(H,14,15)/t7?,8-/m1/s1.
What are the key properties of (2R)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-3-methylbutanoic acid?
(2R)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-3-methylbutanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 107000447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).