(2R)-2-(prop-2-ynoylamino)-3-sulfanylpropanoic acid

C6H7NO3S — CID 139939157

IUPAC(2R)-2-(prop-2-ynoylamino)-3-sulfanylpropanoic acid
SMILESC#CC(=O)N[C@@H](CS)C(=O)O
InChIInChI=1S/C6H7NO3S/c1-2-5(8)7-4(3-11)6(9)10/h1,4,11H,3H2,(H,7,8)(H,9,10)/t4-/m0/s1
InChIKeyQUWGMUBVOBIMEV-BYPYZUCNSA-N
MW173.19 g/mol
LogP-0.88
Rot. Bonds3

About (2R)-2-(prop-2-ynoylamino)-3-sulfanylpropanoic acid

(2R)-2-(prop-2-ynoylamino)-3-sulfanylpropanoic acid (PubChem CID 139939157) has the molecular formula C6H7NO3S and a molecular weight of 173.19 g/mol. Its IUPAC name is (2R)-2-(prop-2-ynoylamino)-3-sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-(prop-2-ynoylamino)-3-sulfanylpropanoic acid
PubChem CID139939157
Molecular FormulaC6H7NO3S
Molecular Weight173.19 g/mol
Exact Mass173.01
IUPAC Name(2R)-2-(prop-2-ynoylamino)-3-sulfanylpropanoic acid
SMILESC#CC(=O)N[C@@H](CS)C(=O)O
InChIInChI=1S/C6H7NO3S/c1-2-5(8)7-4(3-11)6(9)10/h1,4,11H,3H2,(H,7,8)(H,9,10)/t4-/m0/s1
InChIKeyQUWGMUBVOBIMEV-BYPYZUCNSA-N
XLogP-0.88
TPSA66.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(prop-2-ynoylamino)pentanoic acid
CID 93252070
(2S)-2-(prop-2-ynoylamino)hexanoic acid
CID 107144636
(2S)-2-acetamido-3-sulfanylpropanoic acid;bis((2R)-2-acetamido-3-sulfanylpropanoic acid)
CID 87596071
(2R)-2-[(2-hydroxyacetyl)amino]-3-sulfanylpropanoic acid
CID 87097577
2-acetamido-3-sulfanylpropanoic acid;azane
CID 14369897
lithium;(2R)-2-acetamido-3-sulfanylpropanoic acid;hydride
CID 175290404
2-[(2-aminoacetyl)amino]-3-sulfanylpropanoic acid
CID 22342009
(2R)-2-(oxaldehydoylamino)-3-sulfanylpropanoic acid
CID 140823878
(2R)-2-(ethylcarbamoylamino)-3-sulfanylpropanoic acid
CID 23618356
(2R)-2-[(2-chlorobenzoyl)amino]-3-sulfanylpropanoic acid
CID 142708990
(2R)-2-(silylamino)-3-sulfanylpropanoic acid
CID 175735722
(2R)-2-(iodoamino)-3-sulfanylpropanoic acid
CID 142742192

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(prop-2-ynoylamino)-3-sulfanylpropanoic acid?
The IUPAC name of (2R)-2-(prop-2-ynoylamino)-3-sulfanylpropanoic acid (CID 139939157) is (2R)-2-(prop-2-ynoylamino)-3-sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-(prop-2-ynoylamino)-3-sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-(prop-2-ynoylamino)-3-sulfanylpropanoic acid is C#CC(=O)N[C@@H](CS)C(=O)O.
What is the InChIKey of (2R)-2-(prop-2-ynoylamino)-3-sulfanylpropanoic acid?
The InChIKey is QUWGMUBVOBIMEV-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H7NO3S/c1-2-5(8)7-4(3-11)6(9)10/h1,4,11H,3H2,(H,7,8)(H,9,10)/t4-/m0/s1.
What are the key properties of (2R)-2-(prop-2-ynoylamino)-3-sulfanylpropanoic acid?
(2R)-2-(prop-2-ynoylamino)-3-sulfanylpropanoic acid has a molecular weight of 173.19 g/mol, XLogP of -0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(prop-2-ynoylamino)-3-sulfanylpropanoic acid is sourced from PubChem (CID 139939157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).