(2S)-2-[(1S)-1-aminoethyl]pent-4-enoic acid

C7H13NO2 — CID 10866451

IUPAC(2S)-2-[(1S)-1-aminoethyl]pent-4-enoic acid
SMILESC=CCC(C(=O)O)[C@H](C)N
InChIInChI=1S/C7H13NO2/c1-3-4-6(5(2)8)7(9)10/h3,5-6H,1,4,8H2,2H3,(H,9,10)/t5-,6?/m0/s1
InChIKeyCXTZTZNNNYMNMA-ZBHICJROSA-N
MW143.19 g/mol
LogP0.61
Rot. Bonds4

About (2S)-2-[(1S)-1-aminoethyl]pent-4-enoic acid

(2S)-2-[(1S)-1-aminoethyl]pent-4-enoic acid (PubChem CID 10866451) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (2S)-2-[(1S)-1-aminoethyl]pent-4-enoic acid.

Molecular Properties

Compound Name(2S)-2-[(1S)-1-aminoethyl]pent-4-enoic acid
PubChem CID10866451
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(2S)-2-[(1S)-1-aminoethyl]pent-4-enoic acid
SMILESC=CCC(C(=O)O)[C@H](C)N
InChIInChI=1S/C7H13NO2/c1-3-4-6(5(2)8)7(9)10/h3,5-6H,1,4,8H2,2H3,(H,9,10)/t5-,6?/m0/s1
InChIKeyCXTZTZNNNYMNMA-ZBHICJROSA-N
XLogP0.61
TPSA63.32 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 ≤ 50.61
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

2-(1-hydroxyethyl)pent-4-enoic acid
CID 18940262
2-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pent-4-enoic acid
CID 87779163
3-amino-2-(aminomethyl)butanoic acid
CID 87574083
(2R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-(2-methylpropyl)hex-5-enoic acid
CID 20658002
(2S)-2-amino-3-methylbutanoic acid;but-3-en-1-ol
CID 159804103
(2S,3S)-2-(methoxymethyl)-3-methylhex-5-enoic acid
CID 146545497
(2S)-2-aminopent-4-enoic acid;ethane;(3S)-3-methylhex-5-en-2-one
CID 161452637
2-aminopent-4-enoic acid;cyclohexane
CID 174929503
3-hydroxy-2-methylhex-5-enoic acid
CID 174792452
2-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pent-4-enoic acid
CID 146629748
(2S)-2-aminopropanoic acid
CID 5950
(2S)-2-aminopropanoic acid
CID 18446182

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1S)-1-aminoethyl]pent-4-enoic acid?
The IUPAC name of (2S)-2-[(1S)-1-aminoethyl]pent-4-enoic acid (CID 10866451) is (2S)-2-[(1S)-1-aminoethyl]pent-4-enoic acid.
What is the SMILES notation for (2S)-2-[(1S)-1-aminoethyl]pent-4-enoic acid?
The canonical SMILES for (2S)-2-[(1S)-1-aminoethyl]pent-4-enoic acid is C=CCC(C(=O)O)[C@H](C)N.
What is the InChIKey of (2S)-2-[(1S)-1-aminoethyl]pent-4-enoic acid?
The InChIKey is CXTZTZNNNYMNMA-ZBHICJROSA-N. The full InChI is InChI=1S/C7H13NO2/c1-3-4-6(5(2)8)7(9)10/h3,5-6H,1,4,8H2,2H3,(H,9,10)/t5-,6?/m0/s1.
What are the key properties of (2S)-2-[(1S)-1-aminoethyl]pent-4-enoic acid?
(2S)-2-[(1S)-1-aminoethyl]pent-4-enoic acid has a molecular weight of 143.19 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1S)-1-aminoethyl]pent-4-enoic acid is sourced from PubChem (CID 10866451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).