2-aminopent-4-enoic acid;cyclohexane

C11H21NO2 — CID 174929503

IUPAC2-aminopent-4-enoic acid;cyclohexane
SMILESC1CCCCC1.C=CCC(N)C(=O)O
InChIInChI=1S/C6H12.C5H9NO2/c1-2-4-6-5-3-1;1-2-3-4(6)5(7)8/h1-6H2;2,4H,1,3,6H2,(H,7,8)
InChIKeyJFVRVGCBLPCIFX-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.32
Rot. Bonds3

About 2-aminopent-4-enoic acid;cyclohexane

2-aminopent-4-enoic acid;cyclohexane (PubChem CID 174929503) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-aminopent-4-enoic acid;cyclohexane.

Molecular Properties

Compound Name2-aminopent-4-enoic acid;cyclohexane
PubChem CID174929503
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-aminopent-4-enoic acid;cyclohexane
SMILESC1CCCCC1.C=CCC(N)C(=O)O
InChIInChI=1S/C6H12.C5H9NO2/c1-2-4-6-5-3-1;1-2-3-4(6)5(7)8/h1-6H2;2,4H,1,3,6H2,(H,7,8)
InChIKeyJFVRVGCBLPCIFX-UHFFFAOYSA-N
XLogP2.32
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.32
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-aminopent-4-enoic acid;ethane;(3S)-3-methylhex-5-en-2-one
CID 161452637
methyl 2-aminopent-4-enoate
CID 10877146
(Z)-2,7-diaminooct-4-enedioic acid
CID 90205978
3-amino-1-cyclohexylhex-5-en-2-one
CID 116606979
ethane;methyl (2S)-2-aminopent-4-enoate
CID 143525314
2-amino-4-oxo-4-prop-2-enoxybutanoic acid;hydrochloride
CID 71340217
3-amino-1-methoxyhex-5-en-2-one
CID 116606882
3-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]hex-5-enoic acid
CID 53444964
(2R)-3-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]hex-5-enoic acid
CID 56923702
tert-butyl 2-aminopent-4-enoate;hydrochloride
CID 139035813
2-[1-(2-aminopent-4-enoyl)azetidin-3-yl]propanoic acid
CID 116682246
(Z,2S)-2-amino-5-iodopent-4-enoic acid
CID 92531833

Frequently Asked Questions

What is the IUPAC name of 2-aminopent-4-enoic acid;cyclohexane?
The IUPAC name of 2-aminopent-4-enoic acid;cyclohexane (CID 174929503) is 2-aminopent-4-enoic acid;cyclohexane.
What is the SMILES notation for 2-aminopent-4-enoic acid;cyclohexane?
The canonical SMILES for 2-aminopent-4-enoic acid;cyclohexane is C1CCCCC1.C=CCC(N)C(=O)O.
What is the InChIKey of 2-aminopent-4-enoic acid;cyclohexane?
The InChIKey is JFVRVGCBLPCIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C5H9NO2/c1-2-4-6-5-3-1;1-2-3-4(6)5(7)8/h1-6H2;2,4H,1,3,6H2,(H,7,8).
What are the key properties of 2-aminopent-4-enoic acid;cyclohexane?
2-aminopent-4-enoic acid;cyclohexane has a molecular weight of 199.29 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopent-4-enoic acid;cyclohexane is sourced from PubChem (CID 174929503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).