2-amino-5-cyclopropyl-4-methylhexanoic acid

C10H19NO2 — CID 174468132

IUPAC2-amino-5-cyclopropyl-4-methylhexanoic acid
SMILESCC(CC(N)C(=O)O)C(C)C1CC1
InChIInChI=1S/C10H19NO2/c1-6(5-9(11)10(12)13)7(2)8-3-4-8/h6-9H,3-5,11H2,1-2H3,(H,12,13)
InChIKeyIGENYPRAHFHJDC-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.47
Rot. Bonds5

About 2-amino-5-cyclopropyl-4-methylhexanoic acid

2-amino-5-cyclopropyl-4-methylhexanoic acid (PubChem CID 174468132) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-amino-5-cyclopropyl-4-methylhexanoic acid.

Molecular Properties

Compound Name2-amino-5-cyclopropyl-4-methylhexanoic acid
PubChem CID174468132
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-amino-5-cyclopropyl-4-methylhexanoic acid
SMILESCC(CC(N)C(=O)O)C(C)C1CC1
InChIInChI=1S/C10H19NO2/c1-6(5-9(11)10(12)13)7(2)8-3-4-8/h6-9H,3-5,11H2,1-2H3,(H,12,13)
InChIKeyIGENYPRAHFHJDC-UHFFFAOYSA-N
XLogP1.47
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-5-cyclobutyl-4-methylhexanoic acid
CID 174468126
(2S,4S)-2-amino-5,5-dichloro-4-methylpentanoic acid
CID 11390021
2-amino-4-cyclohexylhexanoic acid
CID 19433409
(2S)-2-(15N)azanyl-4-methyl(213C)pentanoic acid
CID 71309151
2-amino-4-methylpentanoic acid;chromium
CID 88640601
2-amino-4-hydroxypentanoic acid
CID 14021586
(2S)-2-amino-4-methylpentanoic acid;hydrazine
CID 160824424
(2S)-2-amino-4-methylpentanoic acid;cerium
CID 86698944
CID 6369563
CID 6369563
2-amino-7-cyclopropyl-4-ethyl-6-methylheptanoic acid
CID 173198300
(2R,4R)-2-amino-4-fluoropentanoic acid
CID 55283897
sodium;(2S)-2-amino-4-methylpentanoic acid;hydride
CID 173065319

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-cyclopropyl-4-methylhexanoic acid?
The IUPAC name of 2-amino-5-cyclopropyl-4-methylhexanoic acid (CID 174468132) is 2-amino-5-cyclopropyl-4-methylhexanoic acid.
What is the SMILES notation for 2-amino-5-cyclopropyl-4-methylhexanoic acid?
The canonical SMILES for 2-amino-5-cyclopropyl-4-methylhexanoic acid is CC(CC(N)C(=O)O)C(C)C1CC1.
What is the InChIKey of 2-amino-5-cyclopropyl-4-methylhexanoic acid?
The InChIKey is IGENYPRAHFHJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-6(5-9(11)10(12)13)7(2)8-3-4-8/h6-9H,3-5,11H2,1-2H3,(H,12,13).
What are the key properties of 2-amino-5-cyclopropyl-4-methylhexanoic acid?
2-amino-5-cyclopropyl-4-methylhexanoic acid has a molecular weight of 185.27 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-cyclopropyl-4-methylhexanoic acid is sourced from PubChem (CID 174468132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).