2-(3-methoxypropanoylamino)-3-methylpentanoic acid

C10H19NO4 — CID 60759451

IUPAC2-(3-methoxypropanoylamino)-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)CCOC)C(=O)O
InChIInChI=1S/C10H19NO4/c1-4-7(2)9(10(13)14)11-8(12)5-6-15-3/h7,9H,4-6H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyDLUAIJTZVXVHEZ-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.64
Rot. Bonds7

About 2-(3-methoxypropanoylamino)-3-methylpentanoic acid

2-(3-methoxypropanoylamino)-3-methylpentanoic acid (PubChem CID 60759451) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-(3-methoxypropanoylamino)-3-methylpentanoic acid.

Molecular Properties

Compound Name2-(3-methoxypropanoylamino)-3-methylpentanoic acid
PubChem CID60759451
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-(3-methoxypropanoylamino)-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)CCOC)C(=O)O
InChIInChI=1S/C10H19NO4/c1-4-7(2)9(10(13)14)11-8(12)5-6-15-3/h7,9H,4-6H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyDLUAIJTZVXVHEZ-UHFFFAOYSA-N
XLogP0.64
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-methyl-2-(3-propoxypropanoylamino)pentanoic acid
CID 55104204
(2S)-2-[[2-(2-methoxyethoxy)acetyl]amino]-3-methylpentanoic acid
CID 61172189
2-(4-chlorobutanoylamino)-3-methylpentanoic acid
CID 3503073
(2S,3S)-3-methyl-2-(pentadecanoylamino)pentanoic acid
CID 10196275
3-methyl-2-(tetradecanoylamino)pentanoic acid
CID 13002787
(2S)-2-(docosanoylamino)-3-methylpentanoic acid
CID 139298732
(2S)-2-[3-(2-methoxyethoxy)propanoylamino]-3-methylbutanoic acid
CID 119360709
(2S,3S)-2-(henicosanoylamino)-3-methylpentanoic acid
CID 171116876
(2S)-3-methyl-2-(octadecanoylamino)pentanoic acid
CID 90103267
2-(henicosanoylamino)-3-methylpentanoic acid
CID 11690720
2-[(5-amino-4-methylpentanoyl)amino]-3-methylpentanoic acid
CID 82011210
(2S,3R)-3-methyl-2-(pent-4-enoylamino)pentanoic acid
CID 94547326

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropanoylamino)-3-methylpentanoic acid?
The IUPAC name of 2-(3-methoxypropanoylamino)-3-methylpentanoic acid (CID 60759451) is 2-(3-methoxypropanoylamino)-3-methylpentanoic acid.
What is the SMILES notation for 2-(3-methoxypropanoylamino)-3-methylpentanoic acid?
The canonical SMILES for 2-(3-methoxypropanoylamino)-3-methylpentanoic acid is CCC(C)C(NC(=O)CCOC)C(=O)O.
What is the InChIKey of 2-(3-methoxypropanoylamino)-3-methylpentanoic acid?
The InChIKey is DLUAIJTZVXVHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-4-7(2)9(10(13)14)11-8(12)5-6-15-3/h7,9H,4-6H2,1-3H3,(H,11,12)(H,13,14).
What are the key properties of 2-(3-methoxypropanoylamino)-3-methylpentanoic acid?
2-(3-methoxypropanoylamino)-3-methylpentanoic acid has a molecular weight of 217.26 g/mol, XLogP of 0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropanoylamino)-3-methylpentanoic acid is sourced from PubChem (CID 60759451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).