(2R)-2-(but-3-ynylamino)propanoic acid

C7H11NO2 — CID 83194835

IUPAC(2R)-2-(but-3-ynylamino)propanoic acid
SMILESC#CCCN[C@H](C)C(=O)O
InChIInChI=1S/C7H11NO2/c1-3-4-5-8-6(2)7(9)10/h1,6,8H,4-5H2,2H3,(H,9,10)/t6-/m1/s1
InChIKeyRPBZLHLPALBCRK-ZCFIWIBFSA-N
MW141.17 g/mol
LogP0.07
Rot. Bonds4

About (2R)-2-(but-3-ynylamino)propanoic acid

(2R)-2-(but-3-ynylamino)propanoic acid (PubChem CID 83194835) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (2R)-2-(but-3-ynylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(but-3-ynylamino)propanoic acid
PubChem CID83194835
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(2R)-2-(but-3-ynylamino)propanoic acid
SMILESC#CCCN[C@H](C)C(=O)O
InChIInChI=1S/C7H11NO2/c1-3-4-5-8-6(2)7(9)10/h1,6,8H,4-5H2,2H3,(H,9,10)/t6-/m1/s1
InChIKeyRPBZLHLPALBCRK-ZCFIWIBFSA-N
XLogP0.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(but-3-ynylamino)propanoic acid
CID 83194577
(2S)-2-(2-cyanoethylamino)propanoic acid
CID 54110515
2-(3-methylbutylamino)propanoic acid
CID 16769163
(2S)-2-(2-fluoroethylamino)propanoic acid
CID 83192654
(2R)-2-(3-methylbutylamino)propanoic acid
CID 20848021
2-(2-ethylsulfonylethylamino)propanoic acid
CID 43808018
2-(2-aminoethylamino)propanoic acid;hydrochloride
CID 175693508
(2R)-2-(2-propan-2-ylsulfonylethylamino)propanoic acid
CID 106727678
ethyl 2-(pent-4-ynylamino)propanoate
CID 115664090
2-(pentylamino)propanoic acid
CID 43467235
2-[2-(2-methylpropanoylamino)ethylamino]propanoic acid
CID 66171677
3-(but-3-ynylamino)-4-methylpentan-1-ol
CID 104892114

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(but-3-ynylamino)propanoic acid?
The IUPAC name of (2R)-2-(but-3-ynylamino)propanoic acid (CID 83194835) is (2R)-2-(but-3-ynylamino)propanoic acid.
What is the SMILES notation for (2R)-2-(but-3-ynylamino)propanoic acid?
The canonical SMILES for (2R)-2-(but-3-ynylamino)propanoic acid is C#CCCN[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-(but-3-ynylamino)propanoic acid?
The InChIKey is RPBZLHLPALBCRK-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H11NO2/c1-3-4-5-8-6(2)7(9)10/h1,6,8H,4-5H2,2H3,(H,9,10)/t6-/m1/s1.
What are the key properties of (2R)-2-(but-3-ynylamino)propanoic acid?
(2R)-2-(but-3-ynylamino)propanoic acid has a molecular weight of 141.17 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(but-3-ynylamino)propanoic acid is sourced from PubChem (CID 83194835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).