(E)-3-[(2-hydroxycyclohexyl)amino]prop-2-enoic acid

C9H15NO3 — CID 103249864

IUPAC(E)-3-[(2-hydroxycyclohexyl)amino]prop-2-enoic acid
SMILESO=C(O)/C=C/NC1CCCCC1O
InChIInChI=1S/C9H15NO3/c11-8-4-2-1-3-7(8)10-6-5-9(12)13/h5-8,10-11H,1-4H2,(H,12,13)/b6-5+
InChIKeyFOWBZQUOBRPQOQ-AATRIKPKSA-N
MW185.22 g/mol
LogP0.48
Rot. Bonds3

About (E)-3-[(2-hydroxycyclohexyl)amino]prop-2-enoic acid

(E)-3-[(2-hydroxycyclohexyl)amino]prop-2-enoic acid (PubChem CID 103249864) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is (E)-3-[(2-hydroxycyclohexyl)amino]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[(2-hydroxycyclohexyl)amino]prop-2-enoic acid
PubChem CID103249864
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name(E)-3-[(2-hydroxycyclohexyl)amino]prop-2-enoic acid
SMILESO=C(O)/C=C/NC1CCCCC1O
InChIInChI=1S/C9H15NO3/c11-8-4-2-1-3-7(8)10-6-5-9(12)13/h5-8,10-11H,1-4H2,(H,12,13)/b6-5+
InChIKeyFOWBZQUOBRPQOQ-AATRIKPKSA-N
XLogP0.48
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S,2S)-2-hydroxycyclopentyl]formamide
CID 57089664
2-[(2-hydroxycyclohexyl)amino]acetic acid
CID 60886714
N-[(1R,2S)-2-hydroxycyclohexyl]-N'-[(1S,2R)-2-hydroxycyclohexyl]hexanediamide
CID 40600214
2-[[(1S,2S)-2-hydroxycyclohexyl]amino]cycloheptan-1-ol
CID 102731599
(E)-N-(2-hydroxycyclohexyl)-3-phenylprop-2-enamide
CID 14965451
N-[(1S,2S)-2-hydroxycycloheptyl]acetamide
CID 101001127
N-[(1R,2R)-2-hydroxycyclohexyl]acetamide;hydrochloride
CID 172759321
2-hydroxy-N-[(1R,2R)-2-hydroxycycloheptyl]acetamide
CID 130693023
N-[(1S,2S)-2-hydroxycyclooctyl]cyclopropanecarboxamide
CID 146041512
4-[(2-hydroxycycloheptyl)amino]-2-methylbut-2-enoic acid
CID 103262912
3-amino-4-[[(1R,2R)-2-hydroxycyclohexyl]amino]-4-oxobutanoic acid
CID 107222087
(E)-1-(4-methoxyphenyl)-3-[[(1R,2R)-2-[[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]amino]cyclohexyl]amino]prop-2-en-1-one
CID 101162810

Frequently Asked Questions

What is the IUPAC name of (E)-3-[(2-hydroxycyclohexyl)amino]prop-2-enoic acid?
The IUPAC name of (E)-3-[(2-hydroxycyclohexyl)amino]prop-2-enoic acid (CID 103249864) is (E)-3-[(2-hydroxycyclohexyl)amino]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[(2-hydroxycyclohexyl)amino]prop-2-enoic acid?
The canonical SMILES for (E)-3-[(2-hydroxycyclohexyl)amino]prop-2-enoic acid is O=C(O)/C=C/NC1CCCCC1O.
What is the InChIKey of (E)-3-[(2-hydroxycyclohexyl)amino]prop-2-enoic acid?
The InChIKey is FOWBZQUOBRPQOQ-AATRIKPKSA-N. The full InChI is InChI=1S/C9H15NO3/c11-8-4-2-1-3-7(8)10-6-5-9(12)13/h5-8,10-11H,1-4H2,(H,12,13)/b6-5+.
What are the key properties of (E)-3-[(2-hydroxycyclohexyl)amino]prop-2-enoic acid?
(E)-3-[(2-hydroxycyclohexyl)amino]prop-2-enoic acid has a molecular weight of 185.22 g/mol, XLogP of 0.48, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[(2-hydroxycyclohexyl)amino]prop-2-enoic acid is sourced from PubChem (CID 103249864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).