(2R)-2-(but-3-en-2-ylamino)propanoic acid

C7H13NO2 — CID 18664909

IUPAC(2R)-2-(but-3-en-2-ylamino)propanoic acid
SMILESC=CC(C)N[C@H](C)C(=O)O
InChIInChI=1S/C7H13NO2/c1-4-5(2)8-6(3)7(9)10/h4-6,8H,1H2,2-3H3,(H,9,10)/t5?,6-/m1/s1
InChIKeyYGXYZYNZLKUCKZ-PRJDIBJQSA-N
MW143.19 g/mol
LogP0.62
Rot. Bonds4

About (2R)-2-(but-3-en-2-ylamino)propanoic acid

(2R)-2-(but-3-en-2-ylamino)propanoic acid (PubChem CID 18664909) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (2R)-2-(but-3-en-2-ylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(but-3-en-2-ylamino)propanoic acid
PubChem CID18664909
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(2R)-2-(but-3-en-2-ylamino)propanoic acid
SMILESC=CC(C)N[C@H](C)C(=O)O
InChIInChI=1S/C7H13NO2/c1-4-5(2)8-6(3)7(9)10/h4-6,8H,1H2,2-3H3,(H,9,10)/t5?,6-/m1/s1
InChIKeyYGXYZYNZLKUCKZ-PRJDIBJQSA-N
XLogP0.62
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 ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-Dehydro-L-proline
CID 94284
3,4-Dehydroproline
CID 97858
N-Allylglycine
CID 76651
(R)-2,5-Dihydro-1H-pyrrole-2-carboxylic acid
CID 6994108
2-[(But-3-en-1-yl)amino]acetic acid
CID 18506529
N-(2-propenyl)alanine
CID 45086547
N-But-2-en-1-ylglycine
CID 53407996
N-Acryloylmethylalanine
CID 57278894
Prenylalanine
CID 83192655
cis-Crotylglycine
CID 87168838
(s)-5-Pentenyl alanine
CID 90020792
Methylene cyclopropylalanine
CID 129713697

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(but-3-en-2-ylamino)propanoic acid?
The IUPAC name of (2R)-2-(but-3-en-2-ylamino)propanoic acid (CID 18664909) is (2R)-2-(but-3-en-2-ylamino)propanoic acid.
What is the SMILES notation for (2R)-2-(but-3-en-2-ylamino)propanoic acid?
The canonical SMILES for (2R)-2-(but-3-en-2-ylamino)propanoic acid is C=CC(C)N[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-(but-3-en-2-ylamino)propanoic acid?
The InChIKey is YGXYZYNZLKUCKZ-PRJDIBJQSA-N. The full InChI is InChI=1S/C7H13NO2/c1-4-5(2)8-6(3)7(9)10/h4-6,8H,1H2,2-3H3,(H,9,10)/t5?,6-/m1/s1.
What are the key properties of (2R)-2-(but-3-en-2-ylamino)propanoic acid?
(2R)-2-(but-3-en-2-ylamino)propanoic acid has a molecular weight of 143.19 g/mol, XLogP of 0.62, 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-en-2-ylamino)propanoic acid is sourced from PubChem (CID 18664909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).