(E)-2-[(2-cyclohexylcyclopropanecarbonyl)amino]hex-4-enoic acid

C16H25NO3 — CID 120692482

IUPAC(E)-2-[(2-cyclohexylcyclopropanecarbonyl)amino]hex-4-enoic acid
SMILESC/C=C/CC(NC(=O)C1CC1C1CCCCC1)C(=O)O
InChIInChI=1S/C16H25NO3/c1-2-3-9-14(16(19)20)17-15(18)13-10-12(13)11-7-5-4-6-8-11/h2-3,11-14H,4-10H2,1H3,(H,17,18)(H,19,20)/b3-2+
InChIKeyCTLFOROCTSOATN-NSCUHMNNSA-N
MW279.38 g/mol
LogP2.74
Rot. Bonds6

About (E)-2-[(2-cyclohexylcyclopropanecarbonyl)amino]hex-4-enoic acid

(E)-2-[(2-cyclohexylcyclopropanecarbonyl)amino]hex-4-enoic acid (PubChem CID 120692482) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is (E)-2-[(2-cyclohexylcyclopropanecarbonyl)amino]hex-4-enoic acid.

Molecular Properties

Compound Name(E)-2-[(2-cyclohexylcyclopropanecarbonyl)amino]hex-4-enoic acid
PubChem CID120692482
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name(E)-2-[(2-cyclohexylcyclopropanecarbonyl)amino]hex-4-enoic acid
SMILESC/C=C/CC(NC(=O)C1CC1C1CCCCC1)C(=O)O
InChIInChI=1S/C16H25NO3/c1-2-3-9-14(16(19)20)17-15(18)13-10-12(13)11-7-5-4-6-8-11/h2-3,11-14H,4-10H2,1H3,(H,17,18)(H,19,20)/b3-2+
InChIKeyCTLFOROCTSOATN-NSCUHMNNSA-N
XLogP2.74
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.74
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-[(2-cyclohexylcyclopropanecarbonyl)amino]butanoic acid
CID 119223837
(2R)-2-[(2-cyclohexylcyclopropanecarbonyl)amino]-4-methylpentanoic acid
CID 119363265
2-[(2-cyclohexylcyclopropanecarbonyl)amino]-3-methylbutanoic acid
CID 119170208
2-[(2-cyclopropylcyclopropanecarbonyl)amino]-4-methoxybutanoic acid
CID 120702696
(E)-2-(2-cycloheptyloxypropanoylamino)hex-4-enoic acid
CID 120694238
(E)-2-[(1-butanoylpiperidine-2-carbonyl)amino]hex-4-enoic acid
CID 120692821
cis-(1R,2S)-2-cyclopropyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 171756340
(Z,2S)-2-acetamidohex-4-enoic acid
CID 88873781
(E)-2-(3-cyclopropylpropanoylamino)hex-4-enoic acid
CID 120693780
N-(1-amino-4-methylpentan-2-yl)-2-cyclohexylcyclopropane-1-carboxamide;hydrochloride
CID 119585747
(2R)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]-3-methylbutanoic acid
CID 119369099
cis-(1R,2S)-2-cyclohexyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]cyclopropane-1-carboxamide
CID 145466562

Frequently Asked Questions

What is the IUPAC name of (E)-2-[(2-cyclohexylcyclopropanecarbonyl)amino]hex-4-enoic acid?
The IUPAC name of (E)-2-[(2-cyclohexylcyclopropanecarbonyl)amino]hex-4-enoic acid (CID 120692482) is (E)-2-[(2-cyclohexylcyclopropanecarbonyl)amino]hex-4-enoic acid.
What is the SMILES notation for (E)-2-[(2-cyclohexylcyclopropanecarbonyl)amino]hex-4-enoic acid?
The canonical SMILES for (E)-2-[(2-cyclohexylcyclopropanecarbonyl)amino]hex-4-enoic acid is C/C=C/CC(NC(=O)C1CC1C1CCCCC1)C(=O)O.
What is the InChIKey of (E)-2-[(2-cyclohexylcyclopropanecarbonyl)amino]hex-4-enoic acid?
The InChIKey is CTLFOROCTSOATN-NSCUHMNNSA-N. The full InChI is InChI=1S/C16H25NO3/c1-2-3-9-14(16(19)20)17-15(18)13-10-12(13)11-7-5-4-6-8-11/h2-3,11-14H,4-10H2,1H3,(H,17,18)(H,19,20)/b3-2+.
What are the key properties of (E)-2-[(2-cyclohexylcyclopropanecarbonyl)amino]hex-4-enoic acid?
(E)-2-[(2-cyclohexylcyclopropanecarbonyl)amino]hex-4-enoic acid has a molecular weight of 279.38 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[(2-cyclohexylcyclopropanecarbonyl)amino]hex-4-enoic acid is sourced from PubChem (CID 120692482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).