2-cyclopropyl-2-(2-methylpentan-3-ylamino)propanoic acid

C12H23NO2 — CID 114995374

IUPAC2-cyclopropyl-2-(2-methylpentan-3-ylamino)propanoic acid
SMILESCCC(NC(C)(C(=O)O)C1CC1)C(C)C
InChIInChI=1S/C12H23NO2/c1-5-10(8(2)3)13-12(4,11(14)15)9-6-7-9/h8-10,13H,5-7H2,1-4H3,(H,14,15)
InChIKeyDBBVSTWZRPJHMV-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.26
Rot. Bonds6

About 2-cyclopropyl-2-(2-methylpentan-3-ylamino)propanoic acid

2-cyclopropyl-2-(2-methylpentan-3-ylamino)propanoic acid (PubChem CID 114995374) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-cyclopropyl-2-(2-methylpentan-3-ylamino)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(2-methylpentan-3-ylamino)propanoic acid
PubChem CID114995374
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-cyclopropyl-2-(2-methylpentan-3-ylamino)propanoic acid
SMILESCCC(NC(C)(C(=O)O)C1CC1)C(C)C
InChIInChI=1S/C12H23NO2/c1-5-10(8(2)3)13-12(4,11(14)15)9-6-7-9/h8-10,13H,5-7H2,1-4H3,(H,14,15)
InChIKeyDBBVSTWZRPJHMV-UHFFFAOYSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-Acetyl-L-leucine
CID 70912
N-Acetyl-D-leucine
CID 1241420
acetyl-DL-leucine
CID 1995
N-Methylleucine, D-
CID 6951123
N-Methylleucine
CID 2777993
N-Methyl-dl-leucine
CID 567743
(2S)-2-(cyclopropylformamido)-4-methylpentanoic acid
CID 10845686
L-Leucine, N-(2-cyanoethyl)-
CID 239178
2-Cyclopropyl-2-acetamidopropanoic acid
CID 11137571
(2S)-2-(2,2-Dimethylpropanamido)-4-methylpentanoic acid
CID 6426753
(S)-4-Methyl-2-(methylamino)pentanoic acid hydrochloride
CID 2777992
1-Carboxyethylleucine
CID 53752255

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(2-methylpentan-3-ylamino)propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(2-methylpentan-3-ylamino)propanoic acid (CID 114995374) is 2-cyclopropyl-2-(2-methylpentan-3-ylamino)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(2-methylpentan-3-ylamino)propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(2-methylpentan-3-ylamino)propanoic acid is CCC(NC(C)(C(=O)O)C1CC1)C(C)C.
What is the InChIKey of 2-cyclopropyl-2-(2-methylpentan-3-ylamino)propanoic acid?
The InChIKey is DBBVSTWZRPJHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-5-10(8(2)3)13-12(4,11(14)15)9-6-7-9/h8-10,13H,5-7H2,1-4H3,(H,14,15).
What are the key properties of 2-cyclopropyl-2-(2-methylpentan-3-ylamino)propanoic acid?
2-cyclopropyl-2-(2-methylpentan-3-ylamino)propanoic acid has a molecular weight of 213.32 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(2-methylpentan-3-ylamino)propanoic acid is sourced from PubChem (CID 114995374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).