(E)-4-aminohept-2-enoic acid

C7H13NO2 — CID 116940801

IUPAC(E)-4-aminohept-2-enoic acid
SMILESCCCC(N)/C=C/C(=O)O
InChIInChI=1S/C7H13NO2/c1-2-3-6(8)4-5-7(9)10/h4-6H,2-3,8H2,1H3,(H,9,10)/b5-4+
InChIKeyRMOASOMRTGUYEU-SNAWJCMRSA-N
MW143.19 g/mol
LogP0.75
Rot. Bonds4

About (E)-4-aminohept-2-enoic acid

(E)-4-aminohept-2-enoic acid (PubChem CID 116940801) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (E)-4-aminohept-2-enoic acid.

Molecular Properties

Compound Name(E)-4-aminohept-2-enoic acid
PubChem CID116940801
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(E)-4-aminohept-2-enoic acid
SMILESCCCC(N)/C=C/C(=O)O
InChIInChI=1S/C7H13NO2/c1-2-3-6(8)4-5-7(9)10/h4-6H,2-3,8H2,1H3,(H,9,10)/b5-4+
InChIKeyRMOASOMRTGUYEU-SNAWJCMRSA-N
XLogP0.75
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 ≤ 50.75
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

(3Z)-octa-1,3-diene-2,5-diamine
CID 166682771
(Z,4R)-hept-2-en-4-amine
CID 89073928
4-ethylhepta-2,5-dienedioic acid
CID 54361689
5-ethoxy-4-methyl-5-oxopent-2-enoic acid
CID 54460089
(E,4S)-4-aminopent-2-enoic acid;hydrochloride
CID 87478864
(E)-4-methyltetradec-2-enoic acid
CID 173352049
4-hydroxyheptacos-2-enoic acid
CID 88698148
(2S)-2-aminopentanal;ethane;molecular hydrogen
CID 177242224
(E)-4-ethylhex-2-enoic acid;methane
CID 159220679
acetic acid;azane;butane-1,1-diamine;zinc
CID 175160403
(E)-but-2-enedioic acid;ethanamine
CID 173189224
(2R)-2-amino(311C)pentanoic acid
CID 55291456

Frequently Asked Questions

What is the IUPAC name of (E)-4-aminohept-2-enoic acid?
The IUPAC name of (E)-4-aminohept-2-enoic acid (CID 116940801) is (E)-4-aminohept-2-enoic acid.
What is the SMILES notation for (E)-4-aminohept-2-enoic acid?
The canonical SMILES for (E)-4-aminohept-2-enoic acid is CCCC(N)/C=C/C(=O)O.
What is the InChIKey of (E)-4-aminohept-2-enoic acid?
The InChIKey is RMOASOMRTGUYEU-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H13NO2/c1-2-3-6(8)4-5-7(9)10/h4-6H,2-3,8H2,1H3,(H,9,10)/b5-4+.
What are the key properties of (E)-4-aminohept-2-enoic acid?
(E)-4-aminohept-2-enoic acid has a molecular weight of 143.19 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-aminohept-2-enoic acid is sourced from PubChem (CID 116940801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).