5-(ethylamino)pent-4-enoic acid;hydrochloride

C7H14ClNO2 — CID 173253015

IUPAC5-(ethylamino)pent-4-enoic acid;hydrochloride
SMILESCCNC=CCCC(=O)O.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-2-8-6-4-3-5-7(9)10;/h4,6,8H,2-3,5H2,1H3,(H,9,10);1H
InChIKeyVVPCKUIWIKMKRM-UHFFFAOYSA-N
MW179.65 g/mol
LogP1.40
Rot. Bonds5

About 5-(ethylamino)pent-4-enoic acid;hydrochloride

5-(ethylamino)pent-4-enoic acid;hydrochloride (PubChem CID 173253015) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is 5-(ethylamino)pent-4-enoic acid;hydrochloride.

Molecular Properties

Compound Name5-(ethylamino)pent-4-enoic acid;hydrochloride
PubChem CID173253015
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Name5-(ethylamino)pent-4-enoic acid;hydrochloride
SMILESCCNC=CCCC(=O)O.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-2-8-6-4-3-5-7(9)10;/h4,6,8H,2-3,5H2,1H3,(H,9,10);1H
InChIKeyVVPCKUIWIKMKRM-UHFFFAOYSA-N
XLogP1.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-(ethylamino)pent-4-enoic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hept-4-enoic acid;hydrochloride
CID 143782457
(4E,8E)-dodeca-4,8-dienedioic acid
CID 6537917
3-[[(E)-4-hydroxybut-1-enyl]amino]propanoic acid
CID 140735978
3-(ethylamino)prop-2-enoic acid
CID 87091440
(4Z,7Z,10Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 118537232
(4E,7Z,10E,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 122652065
(4Z,7E,10Z,13E,16E,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 122652072
(4E,7Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 151038001
(4E,7E,10E,13E,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 57417355
(19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 175738679
(4E)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 132895583
(4E,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 13034934

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)pent-4-enoic acid;hydrochloride?
The IUPAC name of 5-(ethylamino)pent-4-enoic acid;hydrochloride (CID 173253015) is 5-(ethylamino)pent-4-enoic acid;hydrochloride.
What is the SMILES notation for 5-(ethylamino)pent-4-enoic acid;hydrochloride?
The canonical SMILES for 5-(ethylamino)pent-4-enoic acid;hydrochloride is CCNC=CCCC(=O)O.Cl.
What is the InChIKey of 5-(ethylamino)pent-4-enoic acid;hydrochloride?
The InChIKey is VVPCKUIWIKMKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.ClH/c1-2-8-6-4-3-5-7(9)10;/h4,6,8H,2-3,5H2,1H3,(H,9,10);1H.
What are the key properties of 5-(ethylamino)pent-4-enoic acid;hydrochloride?
5-(ethylamino)pent-4-enoic acid;hydrochloride has a molecular weight of 179.65 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)pent-4-enoic acid;hydrochloride is sourced from PubChem (CID 173253015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).