(2R)-4-hydroxy-2-(prop-2-ynylcarbamoylamino)butanoic acid

C8H12N2O4 — CID 107825465

IUPAC(2R)-4-hydroxy-2-(prop-2-ynylcarbamoylamino)butanoic acid
SMILESC#CCNC(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C8H12N2O4/c1-2-4-9-8(14)10-6(3-5-11)7(12)13/h1,6,11H,3-5H2,(H,12,13)(H2,9,10,14)/t6-/m1/s1
InChIKeyWRFWRRBJVSIRKP-ZCFIWIBFSA-N
MW200.19 g/mol
LogP-1.25
Rot. Bonds5

About (2R)-4-hydroxy-2-(prop-2-ynylcarbamoylamino)butanoic acid

(2R)-4-hydroxy-2-(prop-2-ynylcarbamoylamino)butanoic acid (PubChem CID 107825465) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-(prop-2-ynylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-(prop-2-ynylcarbamoylamino)butanoic acid
PubChem CID107825465
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name(2R)-4-hydroxy-2-(prop-2-ynylcarbamoylamino)butanoic acid
SMILESC#CCNC(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C8H12N2O4/c1-2-4-9-8(14)10-6(3-5-11)7(12)13/h1,6,11H,3-5H2,(H,12,13)(H2,9,10,14)/t6-/m1/s1
InChIKeyWRFWRRBJVSIRKP-ZCFIWIBFSA-N
XLogP-1.25
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-1.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(prop-2-ynylcarbamoylamino)pentanoic acid
CID 24704064
(2R)-3-hydroxy-2-(prop-2-ynylcarbamoylamino)propanoic acid
CID 80751293
(2S)-2-(prop-2-ynylcarbamoylamino)hexanoic acid
CID 107145224
2-(hex-5-ynylcarbamoylamino)-4-hydroxybutanoic acid
CID 106216120
3-methoxy-2-(prop-2-ynylcarbamoylamino)propanoic acid
CID 81084281
2-(but-3-yn-2-ylcarbamoylamino)-4-hydroxybutanoic acid
CID 114418413
(2R)-4-hydroxy-2-(methylcarbamoylamino)butanoic acid
CID 91507162
(2R)-4-hydroxy-2-(pent-1-yn-3-ylcarbamoylamino)butanoic acid
CID 106232006
4-hydroxy-2-(pent-1-yn-3-ylcarbamoylamino)butanoic acid
CID 106232166
(2R)-4-hydroxy-2-(2-methylbut-3-yn-2-ylcarbamoylamino)butanoic acid
CID 107827927
4-hydroxy-2-(2-methylprop-2-enylcarbamoylamino)butanoic acid
CID 114618138
4-hydroxy-2-(pent-3-ynylcarbamoylamino)butanoic acid
CID 116644911

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-(prop-2-ynylcarbamoylamino)butanoic acid?
The IUPAC name of (2R)-4-hydroxy-2-(prop-2-ynylcarbamoylamino)butanoic acid (CID 107825465) is (2R)-4-hydroxy-2-(prop-2-ynylcarbamoylamino)butanoic acid.
What is the SMILES notation for (2R)-4-hydroxy-2-(prop-2-ynylcarbamoylamino)butanoic acid?
The canonical SMILES for (2R)-4-hydroxy-2-(prop-2-ynylcarbamoylamino)butanoic acid is C#CCNC(=O)N[C@H](CCO)C(=O)O.
What is the InChIKey of (2R)-4-hydroxy-2-(prop-2-ynylcarbamoylamino)butanoic acid?
The InChIKey is WRFWRRBJVSIRKP-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H12N2O4/c1-2-4-9-8(14)10-6(3-5-11)7(12)13/h1,6,11H,3-5H2,(H,12,13)(H2,9,10,14)/t6-/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-(prop-2-ynylcarbamoylamino)butanoic acid?
(2R)-4-hydroxy-2-(prop-2-ynylcarbamoylamino)butanoic acid has a molecular weight of 200.19 g/mol, XLogP of -1.25, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-2-(prop-2-ynylcarbamoylamino)butanoic acid is sourced from PubChem (CID 107825465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).