2-(prop-2-enylamino)pentanoic acid

C8H15NO2 — CID 43631655

IUPAC2-(prop-2-enylamino)pentanoic acid
SMILESC=CCNC(CCC)C(=O)O
InChIInChI=1S/C8H15NO2/c1-3-5-7(8(10)11)9-6-4-2/h4,7,9H,2-3,5-6H2,1H3,(H,10,11)
InChIKeyGTPSVXLNIHHKQV-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.02
Rot. Bonds6

About 2-(prop-2-enylamino)pentanoic acid

2-(prop-2-enylamino)pentanoic acid (PubChem CID 43631655) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-(prop-2-enylamino)pentanoic acid.

Molecular Properties

Compound Name2-(prop-2-enylamino)pentanoic acid
PubChem CID43631655
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-(prop-2-enylamino)pentanoic acid
SMILESC=CCNC(CCC)C(=O)O
InChIInChI=1S/C8H15NO2/c1-3-5-7(8(10)11)9-6-4-2/h4,7,9H,2-3,5-6H2,1H3,(H,10,11)
InChIKeyGTPSVXLNIHHKQV-UHFFFAOYSA-N
XLogP1.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.02
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

(2S)-2-[(R)-1-carboxyethylamino]pentanoate
CID 5459785
(2S)-2-[(R)-1-carboxyethylamino]pentanoic acid
CID 440979
(2S)-2-(ethylamino)pentanoic acid
CID 15677251
N-(2-propenyl)alanine
CID 45086547
Allyllysine
CID 54094013
1-Hydroxyoct-5-enoylglycine
CID 131802915
2-((1-Carboxyethyl)amino)pentanoic acid
CID 384
Perindopril Impurity 58
CID 6326743
2-[[(1S)-1-carboxyethyl]amino]pentanoic acid
CID 6398606
N-Allyl-DL-alanine
CID 13326683
2-Acetamidohex-5-enoic acid
CID 15664955
2-(Ethylamino)pentanoic acid
CID 15677252

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enylamino)pentanoic acid?
The IUPAC name of 2-(prop-2-enylamino)pentanoic acid (CID 43631655) is 2-(prop-2-enylamino)pentanoic acid.
What is the SMILES notation for 2-(prop-2-enylamino)pentanoic acid?
The canonical SMILES for 2-(prop-2-enylamino)pentanoic acid is C=CCNC(CCC)C(=O)O.
What is the InChIKey of 2-(prop-2-enylamino)pentanoic acid?
The InChIKey is GTPSVXLNIHHKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-5-7(8(10)11)9-6-4-2/h4,7,9H,2-3,5-6H2,1H3,(H,10,11).
What are the key properties of 2-(prop-2-enylamino)pentanoic acid?
2-(prop-2-enylamino)pentanoic acid has a molecular weight of 157.21 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enylamino)pentanoic acid is sourced from PubChem (CID 43631655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).