(2S)-2-[(2-cyclopropylacetyl)amino]-4-methoxy-4-oxobutanoic acid

C10H15NO5 — CID 63306811

IUPAC(2S)-2-[(2-cyclopropylacetyl)amino]-4-methoxy-4-oxobutanoic acid
SMILESCOC(=O)C[C@H](NC(=O)CC1CC1)C(=O)O
InChIInChI=1S/C10H15NO5/c1-16-9(13)5-7(10(14)15)11-8(12)4-6-2-3-6/h6-7H,2-5H2,1H3,(H,11,12)(H,14,15)/t7-/m0/s1
InChIKeyZEJCLDWKFRCWRY-ZETCQYMHSA-N
MW229.23 g/mol
LogP-0.08
Rot. Bonds6

About (2S)-2-[(2-cyclopropylacetyl)amino]-4-methoxy-4-oxobutanoic acid

(2S)-2-[(2-cyclopropylacetyl)amino]-4-methoxy-4-oxobutanoic acid (PubChem CID 63306811) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is (2S)-2-[(2-cyclopropylacetyl)amino]-4-methoxy-4-oxobutanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-cyclopropylacetyl)amino]-4-methoxy-4-oxobutanoic acid
PubChem CID63306811
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name(2S)-2-[(2-cyclopropylacetyl)amino]-4-methoxy-4-oxobutanoic acid
SMILESCOC(=O)C[C@H](NC(=O)CC1CC1)C(=O)O
InChIInChI=1S/C10H15NO5/c1-16-9(13)5-7(10(14)15)11-8(12)4-6-2-3-6/h6-7H,2-5H2,1H3,(H,11,12)(H,14,15)/t7-/m0/s1
InChIKeyZEJCLDWKFRCWRY-ZETCQYMHSA-N
XLogP-0.08
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(2-cyclohexylacetyl)amino]-4-methoxy-4-oxobutanoic acid
CID 63307198
2-[(2-cyclobutylacetyl)amino]butanedioic acid
CID 103162089
2-[(2-cyclopropylacetyl)amino]pentanoic acid
CID 43630437
(2S)-2-[(2-cyclopropylacetyl)amino]-4-methylpentanoic acid
CID 61136657
5-methoxy-5-oxo-2-[(2-piperidin-4-ylacetyl)amino]pentanoic acid
CID 82786150
2-[(2-cyclopropylacetyl)amino]hexanoic acid
CID 43469695
(2S)-4-methoxy-2-(3-methylsulfanylpropanoylamino)-4-oxobutanoic acid
CID 63307197
(2S)-2-[[2-(cyclopropylmethylamino)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107824278
(2S)-2-[(2-cyclopropylacetyl)amino]pentanedioic acid
CID 61151881
(2S)-2-(2-cyclopropylpropanoylamino)-4-methoxy-4-oxobutanoic acid
CID 83146560
(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-[(2-pyrrolidin-3-ylacetyl)amino]butanoic acid
CID 82814294
2-[(2-cycloheptylacetyl)amino]butanoic acid
CID 115909894

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-cyclopropylacetyl)amino]-4-methoxy-4-oxobutanoic acid?
The IUPAC name of (2S)-2-[(2-cyclopropylacetyl)amino]-4-methoxy-4-oxobutanoic acid (CID 63306811) is (2S)-2-[(2-cyclopropylacetyl)amino]-4-methoxy-4-oxobutanoic acid.
What is the SMILES notation for (2S)-2-[(2-cyclopropylacetyl)amino]-4-methoxy-4-oxobutanoic acid?
The canonical SMILES for (2S)-2-[(2-cyclopropylacetyl)amino]-4-methoxy-4-oxobutanoic acid is COC(=O)C[C@H](NC(=O)CC1CC1)C(=O)O.
What is the InChIKey of (2S)-2-[(2-cyclopropylacetyl)amino]-4-methoxy-4-oxobutanoic acid?
The InChIKey is ZEJCLDWKFRCWRY-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H15NO5/c1-16-9(13)5-7(10(14)15)11-8(12)4-6-2-3-6/h6-7H,2-5H2,1H3,(H,11,12)(H,14,15)/t7-/m0/s1.
What are the key properties of (2S)-2-[(2-cyclopropylacetyl)amino]-4-methoxy-4-oxobutanoic acid?
(2S)-2-[(2-cyclopropylacetyl)amino]-4-methoxy-4-oxobutanoic acid has a molecular weight of 229.23 g/mol, XLogP of -0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-cyclopropylacetyl)amino]-4-methoxy-4-oxobutanoic acid is sourced from PubChem (CID 63306811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).