4-(2-chloroprop-2-enylamino)cyclohexane-1-carboxylic acid

C10H16ClNO2 — CID 60808095

IUPAC4-(2-chloroprop-2-enylamino)cyclohexane-1-carboxylic acid
SMILESC=C(Cl)CNC1CCC(C(=O)O)CC1
InChIInChI=1S/C10H16ClNO2/c1-7(11)6-12-9-4-2-8(3-5-9)10(13)14/h8-9,12H,1-6H2,(H,13,14)
InChIKeyOPOCHQQKLVUUTR-UHFFFAOYSA-N
MW217.70 g/mol
LogP1.97
Rot. Bonds4

About 4-(2-chloroprop-2-enylamino)cyclohexane-1-carboxylic acid

4-(2-chloroprop-2-enylamino)cyclohexane-1-carboxylic acid (PubChem CID 60808095) has the molecular formula C10H16ClNO2 and a molecular weight of 217.70 g/mol. Its IUPAC name is 4-(2-chloroprop-2-enylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-chloroprop-2-enylamino)cyclohexane-1-carboxylic acid
PubChem CID60808095
Molecular FormulaC10H16ClNO2
Molecular Weight217.70 g/mol
Exact Mass217.09
IUPAC Name4-(2-chloroprop-2-enylamino)cyclohexane-1-carboxylic acid
SMILESC=C(Cl)CNC1CCC(C(=O)O)CC1
InChIInChI=1S/C10H16ClNO2/c1-7(11)6-12-9-4-2-8(3-5-9)10(13)14/h8-9,12H,1-6H2,(H,13,14)
InChIKeyOPOCHQQKLVUUTR-UHFFFAOYSA-N
XLogP1.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(cyclopropylamino)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66031562
ethyl 4-(2-chloroprop-2-enylamino)cyclohexane-1-carboxylate
CID 115924325
N-(2-chloroprop-2-enyl)-1,1-dioxothian-4-amine
CID 60871661
4-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]cyclohexane-1-carboxylic acid
CID 60808261
4-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 60808417
4-[[2-(azetidin-1-yl)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 60809874
4-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 60808097
4-[3-(cyclopropylamino)propanoylamino]cyclohexane-1-carboxylic acid
CID 61161235
4-(hept-6-enylamino)cyclohexane-1-carboxylic acid
CID 107007791
4-[[2-(2-methylpropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 60809879
4-[[2-(dipropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 60809865
2-(cyclopropylamino)acetic acid
CID 21197388

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroprop-2-enylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(2-chloroprop-2-enylamino)cyclohexane-1-carboxylic acid (CID 60808095) is 4-(2-chloroprop-2-enylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(2-chloroprop-2-enylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(2-chloroprop-2-enylamino)cyclohexane-1-carboxylic acid is C=C(Cl)CNC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-(2-chloroprop-2-enylamino)cyclohexane-1-carboxylic acid?
The InChIKey is OPOCHQQKLVUUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNO2/c1-7(11)6-12-9-4-2-8(3-5-9)10(13)14/h8-9,12H,1-6H2,(H,13,14).
What are the key properties of 4-(2-chloroprop-2-enylamino)cyclohexane-1-carboxylic acid?
4-(2-chloroprop-2-enylamino)cyclohexane-1-carboxylic acid has a molecular weight of 217.70 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroprop-2-enylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60808095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).