3-acetamido-4-methylpentanoic acid

C8H15NO3 — CID 22460001

IUPAC3-acetamido-4-methylpentanoic acid
SMILESCC(=O)NC(CC(=O)O)C(C)C
InChIInChI=1S/C8H15NO3/c1-5(2)7(4-8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)
InChIKeyHGNURKCTRTYYHD-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.62
Rot. Bonds4

About 3-acetamido-4-methylpentanoic acid

3-acetamido-4-methylpentanoic acid (PubChem CID 22460001) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 3-acetamido-4-methylpentanoic acid.

Molecular Properties

Compound Name3-acetamido-4-methylpentanoic acid
PubChem CID22460001
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name3-acetamido-4-methylpentanoic acid
SMILESCC(=O)NC(CC(=O)O)C(C)C
InChIInChI=1S/C8H15NO3/c1-5(2)7(4-8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)
InChIKeyHGNURKCTRTYYHD-UHFFFAOYSA-N
XLogP0.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[[(2S)-2-[(2-acetamido-3-carboxypropanoyl)amino]-3-carboxypropanoyl]amino]-4-methylpentanoic acid
CID 155020656
(3S)-3-[[(2S)-2-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoic acid
CID 134579845
(3S)-4-methyl-3-(methylamino)pentanoic acid
CID 90425684
N-(3-methyl-1-sulfanylbutan-2-yl)acetamide
CID 130023779
(3R)-4-methyl-3-(methylamino)pentanoic acid;hydrochloride
CID 87833179
N-(1-methoxy-3-methylbutan-2-yl)acetamide
CID 65053654
N-[(2S)-1-methoxy-3-methylbutan-2-yl]acetamide
CID 167034901
3-(3-aminopropanoylamino)-4-methylpentanoic acid
CID 115558661
3-(dimethylaminocarbamoylamino)-4-methylpentanoic acid
CID 83019637
(3S,4S)-4-acetamido-5-methoxy-3-methylpentanoic acid
CID 97304447
N-(2-methylhex-5-yn-3-yl)acetamide
CID 130015615
N-(1-acetamido-2-methylpropyl)acetamide
CID 14691990

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-4-methylpentanoic acid?
The IUPAC name of 3-acetamido-4-methylpentanoic acid (CID 22460001) is 3-acetamido-4-methylpentanoic acid.
What is the SMILES notation for 3-acetamido-4-methylpentanoic acid?
The canonical SMILES for 3-acetamido-4-methylpentanoic acid is CC(=O)NC(CC(=O)O)C(C)C.
What is the InChIKey of 3-acetamido-4-methylpentanoic acid?
The InChIKey is HGNURKCTRTYYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-5(2)7(4-8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12).
What are the key properties of 3-acetamido-4-methylpentanoic acid?
3-acetamido-4-methylpentanoic acid has a molecular weight of 173.21 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-4-methylpentanoic acid is sourced from PubChem (CID 22460001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).