(2R)-2-(but-1-en-2-ylamino)propanoic acid

C7H13NO2 — CID 145082166

IUPAC(2R)-2-(but-1-en-2-ylamino)propanoic acid
SMILESC=C(CC)N[C@H](C)C(=O)O
InChIInChI=1S/C7H13NO2/c1-4-5(2)8-6(3)7(9)10/h6,8H,2,4H2,1,3H3,(H,9,10)/t6-/m1/s1
InChIKeyZRJYCKJIFABCOA-ZCFIWIBFSA-N
MW143.19 g/mol
LogP0.97
Rot. Bonds4

About (2R)-2-(but-1-en-2-ylamino)propanoic acid

(2R)-2-(but-1-en-2-ylamino)propanoic acid (PubChem CID 145082166) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (2R)-2-(but-1-en-2-ylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(but-1-en-2-ylamino)propanoic acid
PubChem CID145082166
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(2R)-2-(but-1-en-2-ylamino)propanoic acid
SMILESC=C(CC)N[C@H](C)C(=O)O
InChIInChI=1S/C7H13NO2/c1-4-5(2)8-6(3)7(9)10/h6,8H,2,4H2,1,3H3,(H,9,10)/t6-/m1/s1
InChIKeyZRJYCKJIFABCOA-ZCFIWIBFSA-N
XLogP0.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(pent-1-en-2-ylamino)propanoic acid
CID 143322782
(3S)-3-(but-1-en-2-ylamino)but-1-en-2-ol
CID 121345273
2-(2-methylbutanoylamino)propanoic acid
CID 14758658
2-(2,4-dimethylpentanoylamino)propanoic acid
CID 90967232
3-hydroxy-2-(propanoylamino)propanoic acid
CID 11845678
(2S)-2-[(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid
CID 103791005
2-(1-carboxyethylcarbamoylamino)propanoic acid
CID 14332788
(2S)-2-(3-but-1-en-2-yloxybutanoylamino)propanoic acid
CID 163915396
2-(2-methylundecanoylamino)propanoic acid
CID 89211024
(2S)-2-(acetyl(15N)amino)propanoic acid
CID 102175488
(2S)-2-[[4-(hydroxyamino)-2-methyl-4-oxobutanoyl]amino]propanoic acid
CID 54252173
(2S)-5-[[1-carboxy-4-(methylamino)-4-oxobutyl]amino]-5-oxo-2-(propanoylamino)pentanoic acid
CID 90455527

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(but-1-en-2-ylamino)propanoic acid?
The IUPAC name of (2R)-2-(but-1-en-2-ylamino)propanoic acid (CID 145082166) is (2R)-2-(but-1-en-2-ylamino)propanoic acid.
What is the SMILES notation for (2R)-2-(but-1-en-2-ylamino)propanoic acid?
The canonical SMILES for (2R)-2-(but-1-en-2-ylamino)propanoic acid is C=C(CC)N[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-(but-1-en-2-ylamino)propanoic acid?
The InChIKey is ZRJYCKJIFABCOA-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H13NO2/c1-4-5(2)8-6(3)7(9)10/h6,8H,2,4H2,1,3H3,(H,9,10)/t6-/m1/s1.
What are the key properties of (2R)-2-(but-1-en-2-ylamino)propanoic acid?
(2R)-2-(but-1-en-2-ylamino)propanoic acid has a molecular weight of 143.19 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(but-1-en-2-ylamino)propanoic acid is sourced from PubChem (CID 145082166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).