(E,4S)-4-aminopent-2-enoic acid;hydrochloride

C5H10ClNO2 — CID 87478864

IUPAC(E,4S)-4-aminopent-2-enoic acid;hydrochloride
SMILESC[C@H](N)/C=C/C(=O)O.Cl
InChIInChI=1S/C5H9NO2.ClH/c1-4(6)2-3-5(7)8;/h2-4H,6H2,1H3,(H,7,8);1H/b3-2+;/t4-;/m0./s1
InChIKeyRSIFUMOEYBAPGX-XMFKBHDTSA-N
MW151.59 g/mol
LogP0.40
Rot. Bonds2

About (E,4S)-4-aminopent-2-enoic acid;hydrochloride

(E,4S)-4-aminopent-2-enoic acid;hydrochloride (PubChem CID 87478864) has the molecular formula C5H10ClNO2 and a molecular weight of 151.59 g/mol. Its IUPAC name is (E,4S)-4-aminopent-2-enoic acid;hydrochloride.

Molecular Properties

Compound Name(E,4S)-4-aminopent-2-enoic acid;hydrochloride
PubChem CID87478864
Molecular FormulaC5H10ClNO2
Molecular Weight151.59 g/mol
Exact Mass151.04
IUPAC Name(E,4S)-4-aminopent-2-enoic acid;hydrochloride
SMILESC[C@H](N)/C=C/C(=O)O.Cl
InChIInChI=1S/C5H9NO2.ClH/c1-4(6)2-3-5(7)8;/h2-4H,6H2,1H3,(H,7,8);1H/b3-2+;/t4-;/m0./s1
InChIKeyRSIFUMOEYBAPGX-XMFKBHDTSA-N
XLogP0.40
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.59
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-aminopent-2-enamide
CID 90746791
(E)-4-fluoropent-2-enoic acid
CID 87509994
methyl (4S)-4-aminopent-2-enoate
CID 91583994
1-aminoethanol;(E)-but-2-enoic acid
CID 87299473
(2E,5E)-4-[(E)-2-carboxyethenyl]hepta-2,5-dienedioic acid
CID 59008552
(E)-4-aminohept-2-enoic acid
CID 116940801
acetic acid;ethane-1,1-diamine
CID 157325550
5-ethoxy-4-methyl-5-oxopent-2-enoic acid
CID 54460089
(Z)-but-2-enedioic acid;2-methylpropanoic acid
CID 175222424
(2E,4S,5R,6E)-4,5-dihydroxyocta-2,6-dienedioic acid
CID 165355300
(E,5S)-5-aminohex-2-enoic acid
CID 55284274
(E)-4-methylhex-2-enedioic acid
CID 102597366

Frequently Asked Questions

What is the IUPAC name of (E,4S)-4-aminopent-2-enoic acid;hydrochloride?
The IUPAC name of (E,4S)-4-aminopent-2-enoic acid;hydrochloride (CID 87478864) is (E,4S)-4-aminopent-2-enoic acid;hydrochloride.
What is the SMILES notation for (E,4S)-4-aminopent-2-enoic acid;hydrochloride?
The canonical SMILES for (E,4S)-4-aminopent-2-enoic acid;hydrochloride is C[C@H](N)/C=C/C(=O)O.Cl.
What is the InChIKey of (E,4S)-4-aminopent-2-enoic acid;hydrochloride?
The InChIKey is RSIFUMOEYBAPGX-XMFKBHDTSA-N. The full InChI is InChI=1S/C5H9NO2.ClH/c1-4(6)2-3-5(7)8;/h2-4H,6H2,1H3,(H,7,8);1H/b3-2+;/t4-;/m0./s1.
What are the key properties of (E,4S)-4-aminopent-2-enoic acid;hydrochloride?
(E,4S)-4-aminopent-2-enoic acid;hydrochloride has a molecular weight of 151.59 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4S)-4-aminopent-2-enoic acid;hydrochloride is sourced from PubChem (CID 87478864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).