2-(3-methylpentylamino)propanoic acid

C9H19NO2 — CID 87256731

IUPAC2-(3-methylpentylamino)propanoic acid
SMILESCCC(C)CCNC(C)C(=O)O
InChIInChI=1S/C9H19NO2/c1-4-7(2)5-6-10-8(3)9(11)12/h7-8,10H,4-6H2,1-3H3,(H,11,12)
InChIKeyJLFMJYHQIZSAFA-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.49
Rot. Bonds6

About 2-(3-methylpentylamino)propanoic acid

2-(3-methylpentylamino)propanoic acid (PubChem CID 87256731) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-(3-methylpentylamino)propanoic acid.

Molecular Properties

Compound Name2-(3-methylpentylamino)propanoic acid
PubChem CID87256731
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name2-(3-methylpentylamino)propanoic acid
SMILESCCC(C)CCNC(C)C(=O)O
InChIInChI=1S/C9H19NO2/c1-4-7(2)5-6-10-8(3)9(11)12/h7-8,10H,4-6H2,1-3H3,(H,11,12)
InChIKeyJLFMJYHQIZSAFA-UHFFFAOYSA-N
XLogP1.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-Amino-3-methylpentanoyl)amino]propanoic acid
CID 5246010
3-Methyl-2-(methylamino)pentanoic acid
CID 560437
Ile-Ala
CID 7009577
N-Methyl-L-isoleucine
CID 5288628
2-[(5-Methyl-3-oxohexyl)amino]propanoic acid
CID 85213140
(2R,3S)-3-methyl-2-(methylamino)pentanoic acid
CID 14252411
N-(5-methyl-3-oxohexyl)alanine
CID 10631902
2-(Ethylamino)-3-methylbutanoic acid hydrochloride
CID 50988233
2-((1-Carboxyethyl)amino)-3-methylbutanoic acid
CID 66171937
Methyl-L-alloisoleucine
CID 40475365
1-Carboxyethylleucine
CID 53752255
1-Carboxyethylvaline
CID 145900340

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpentylamino)propanoic acid?
The IUPAC name of 2-(3-methylpentylamino)propanoic acid (CID 87256731) is 2-(3-methylpentylamino)propanoic acid.
What is the SMILES notation for 2-(3-methylpentylamino)propanoic acid?
The canonical SMILES for 2-(3-methylpentylamino)propanoic acid is CCC(C)CCNC(C)C(=O)O.
What is the InChIKey of 2-(3-methylpentylamino)propanoic acid?
The InChIKey is JLFMJYHQIZSAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-4-7(2)5-6-10-8(3)9(11)12/h7-8,10H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 2-(3-methylpentylamino)propanoic acid?
2-(3-methylpentylamino)propanoic acid has a molecular weight of 173.26 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpentylamino)propanoic acid is sourced from PubChem (CID 87256731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).