2-(pent-1-en-2-ylamino)propanoic acid

C8H15NO2 — CID 143322782

IUPAC2-(pent-1-en-2-ylamino)propanoic acid
SMILESC=C(CCC)NC(C)C(=O)O
InChIInChI=1S/C8H15NO2/c1-4-5-6(2)9-7(3)8(10)11/h7,9H,2,4-5H2,1,3H3,(H,10,11)
InChIKeyPYJLZPDMYONNTM-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.36
Rot. Bonds5

About 2-(pent-1-en-2-ylamino)propanoic acid

2-(pent-1-en-2-ylamino)propanoic acid (PubChem CID 143322782) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-(pent-1-en-2-ylamino)propanoic acid.

Molecular Properties

Compound Name2-(pent-1-en-2-ylamino)propanoic acid
PubChem CID143322782
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-(pent-1-en-2-ylamino)propanoic acid
SMILESC=C(CCC)NC(C)C(=O)O
InChIInChI=1S/C8H15NO2/c1-4-5-6(2)9-7(3)8(10)11/h7,9H,2,4-5H2,1,3H3,(H,10,11)
InChIKeyPYJLZPDMYONNTM-UHFFFAOYSA-N
XLogP1.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(but-1-en-2-ylamino)propanoic acid
CID 145082166
2-(2-methylbutanoylamino)propanoic acid
CID 14758658
2-(hexanoylamino)propanoic acid
CID 2828500
(2S)-2-[[(2S)-2-[butanoyl-[hydroxy(methyl)phosphoryl]amino]propanoyl]amino]propanoic acid
CID 87616364
(2S)-2-(heptanoylamino)propanoic acid
CID 59127847
(2S)-2-(3-hydroxypropanoylamino)propanoic acid
CID 126726083
2-(1-carboxyethylcarbamoylamino)propanoic acid
CID 14332788
2-(2-methylundecanoylamino)propanoic acid
CID 89211024
(2S)-2-(2-oxohexadecanoylamino)propanoic acid
CID 127025412
(2R)-2-[[22-[[(1R)-1-carboxyethyl]amino]-22-oxodocosanoyl]amino]propanoic acid
CID 100962390
(2R)-2-[[14-[[(1R)-1-carboxyethyl]amino]-14-oxotetradecanoyl]amino]propanoic acid
CID 100962387
(2S)-2-(acetyl(15N)amino)propanoic acid
CID 102175488

Frequently Asked Questions

What is the IUPAC name of 2-(pent-1-en-2-ylamino)propanoic acid?
The IUPAC name of 2-(pent-1-en-2-ylamino)propanoic acid (CID 143322782) is 2-(pent-1-en-2-ylamino)propanoic acid.
What is the SMILES notation for 2-(pent-1-en-2-ylamino)propanoic acid?
The canonical SMILES for 2-(pent-1-en-2-ylamino)propanoic acid is C=C(CCC)NC(C)C(=O)O.
What is the InChIKey of 2-(pent-1-en-2-ylamino)propanoic acid?
The InChIKey is PYJLZPDMYONNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-5-6(2)9-7(3)8(10)11/h7,9H,2,4-5H2,1,3H3,(H,10,11).
What are the key properties of 2-(pent-1-en-2-ylamino)propanoic acid?
2-(pent-1-en-2-ylamino)propanoic acid has a molecular weight of 157.21 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pent-1-en-2-ylamino)propanoic acid is sourced from PubChem (CID 143322782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).