2-[methyl(pentanoyl)amino]propanoic acid

C9H17NO3 — CID 62627616

IUPAC2-[methyl(pentanoyl)amino]propanoic acid
SMILESCCCCC(=O)N(C)C(C)C(=O)O
InChIInChI=1S/C9H17NO3/c1-4-5-6-8(11)10(3)7(2)9(12)13/h7H,4-6H2,1-3H3,(H,12,13)
InChIKeyJXWDVVIZBUSFMX-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.11
Rot. Bonds5

About 2-[methyl(pentanoyl)amino]propanoic acid

2-[methyl(pentanoyl)amino]propanoic acid (PubChem CID 62627616) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-[methyl(pentanoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl(pentanoyl)amino]propanoic acid
PubChem CID62627616
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-[methyl(pentanoyl)amino]propanoic acid
SMILESCCCCC(=O)N(C)C(C)C(=O)O
InChIInChI=1S/C9H17NO3/c1-4-5-6-8(11)10(3)7(2)9(12)13/h7H,4-6H2,1-3H3,(H,12,13)
InChIKeyJXWDVVIZBUSFMX-UHFFFAOYSA-N
XLogP1.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[heptanoyl(methyl)amino]propanoic acid
CID 62626215
(2S)-2-[methyl(octadecanoyl)amino]propanoic acid
CID 20689915
(2S)-2-[3-(dimethylamino)propanoyl-methylamino]propanoic acid
CID 118568669
N-(1-bromopropan-2-yl)-N-methylpentanamide
CID 104556286
(2R)-2-[methyl-(2-pentoxyacetyl)amino]propanoic acid
CID 97098347
N-methyl-N-pentan-3-ylpentanamide
CID 162142543
(2S)-2-[methyl(4-sulfanylpentanoyl)amino]propanoic acid
CID 145294959
2-[6-acetamidohexanoyl(methyl)amino]propanoic acid
CID 55096871
(2R)-2-[methyl-[(3R)-3-methylhexanoyl]amino]propanoic acid
CID 97233974
N-(1-amino-1-sulfanylidenepropan-2-yl)-N-methylnonanamide
CID 65448406
3-[[(1S)-1-carboxyethyl]-methylamino]-3-oxopropanoic acid
CID 121390047
ethane;N-methyl-N-propan-2-ylnonanamide
CID 142045586

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pentanoyl)amino]propanoic acid?
The IUPAC name of 2-[methyl(pentanoyl)amino]propanoic acid (CID 62627616) is 2-[methyl(pentanoyl)amino]propanoic acid.
What is the SMILES notation for 2-[methyl(pentanoyl)amino]propanoic acid?
The canonical SMILES for 2-[methyl(pentanoyl)amino]propanoic acid is CCCCC(=O)N(C)C(C)C(=O)O.
What is the InChIKey of 2-[methyl(pentanoyl)amino]propanoic acid?
The InChIKey is JXWDVVIZBUSFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-4-5-6-8(11)10(3)7(2)9(12)13/h7H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 2-[methyl(pentanoyl)amino]propanoic acid?
2-[methyl(pentanoyl)amino]propanoic acid has a molecular weight of 187.24 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pentanoyl)amino]propanoic acid is sourced from PubChem (CID 62627616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).