(2R)-2-(but-2-ynoylamino)-4-hydroxybutanoic acid

C8H11NO4 — CID 107987058

IUPAC(2R)-2-(but-2-ynoylamino)-4-hydroxybutanoic acid
SMILESCC#CC(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C8H11NO4/c1-2-3-7(11)9-6(4-5-10)8(12)13/h6,10H,4-5H2,1H3,(H,9,11)(H,12,13)/t6-/m1/s1
InChIKeyMMYBLGVFQVALKJ-ZCFIWIBFSA-N
MW185.18 g/mol
LogP-1.04
Rot. Bonds4

About (2R)-2-(but-2-ynoylamino)-4-hydroxybutanoic acid

(2R)-2-(but-2-ynoylamino)-4-hydroxybutanoic acid (PubChem CID 107987058) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is (2R)-2-(but-2-ynoylamino)-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R)-2-(but-2-ynoylamino)-4-hydroxybutanoic acid
PubChem CID107987058
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Name(2R)-2-(but-2-ynoylamino)-4-hydroxybutanoic acid
SMILESCC#CC(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C8H11NO4/c1-2-3-7(11)9-6(4-5-10)8(12)13/h6,10H,4-5H2,1H3,(H,9,11)(H,12,13)/t6-/m1/s1
InChIKeyMMYBLGVFQVALKJ-ZCFIWIBFSA-N
XLogP-1.04
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(but-2-ynoylamino)hexanoic acid
CID 107987026
(2S)-2-(but-2-ynoylamino)butanedioic acid
CID 107986892
N-[(2S)-4-hydroxybutan-2-yl]but-2-ynamide
CID 130660257
N-(1-hydroxypentan-3-yl)but-2-ynamide
CID 107262074
(2S)-4-hydroxy-2-(3-oxobutanoylamino)butanoic acid
CID 54118201
(2R)-4-hydroxy-2-(methylcarbamoylamino)butanoic acid
CID 91507162
6-(but-2-ynoylamino)-2-methylheptanoic acid
CID 107986770
(2S)-4-hydroxy-2-[(2-methylsulfanylacetyl)amino]butanoic acid
CID 107822300
(2R)-4-hydroxy-2-[(2-methylsulfanylacetyl)amino]butanoic acid
CID 107823395
4-hydroxy-2-(pent-3-ynylcarbamoylamino)butanoic acid
CID 116644911
2-[(1-carboxy-3-hydroxypropyl)amino]-4-hydroxybutanoic acid
CID 155788210
2-[[(2R)-2-aminopropanoyl]amino]-4-hydroxybutanoic acid
CID 78973168

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(but-2-ynoylamino)-4-hydroxybutanoic acid?
The IUPAC name of (2R)-2-(but-2-ynoylamino)-4-hydroxybutanoic acid (CID 107987058) is (2R)-2-(but-2-ynoylamino)-4-hydroxybutanoic acid.
What is the SMILES notation for (2R)-2-(but-2-ynoylamino)-4-hydroxybutanoic acid?
The canonical SMILES for (2R)-2-(but-2-ynoylamino)-4-hydroxybutanoic acid is CC#CC(=O)N[C@H](CCO)C(=O)O.
What is the InChIKey of (2R)-2-(but-2-ynoylamino)-4-hydroxybutanoic acid?
The InChIKey is MMYBLGVFQVALKJ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H11NO4/c1-2-3-7(11)9-6(4-5-10)8(12)13/h6,10H,4-5H2,1H3,(H,9,11)(H,12,13)/t6-/m1/s1.
What are the key properties of (2R)-2-(but-2-ynoylamino)-4-hydroxybutanoic acid?
(2R)-2-(but-2-ynoylamino)-4-hydroxybutanoic acid has a molecular weight of 185.18 g/mol, XLogP of -1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(but-2-ynoylamino)-4-hydroxybutanoic acid is sourced from PubChem (CID 107987058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).