4-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid

C13H22N2O3 — CID 60808097

IUPAC4-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(CNC1CCC(C(=O)O)CC1)NCC1CC1
InChIInChI=1S/C13H22N2O3/c16-12(15-7-9-1-2-9)8-14-11-5-3-10(4-6-11)13(17)18/h9-11,14H,1-8H2,(H,15,16)(H,17,18)
InChIKeyFHPSQCANUUTUPL-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.75
Rot. Bonds6

About 4-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid

4-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 60808097) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
PubChem CID60808097
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name4-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(CNC1CCC(C(=O)O)CC1)NCC1CC1
InChIInChI=1S/C13H22N2O3/c16-12(15-7-9-1-2-9)8-14-11-5-3-10(4-6-11)13(17)18/h9-11,14H,1-8H2,(H,15,16)(H,17,18)
InChIKeyFHPSQCANUUTUPL-UHFFFAOYSA-N
XLogP0.75
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclohexylamino)-N-(cyclopropylmethyl)acetamide
CID 28565073
4-[[2-(2-methylpropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 60809879
4-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]cyclohexane-1-carboxylic acid
CID 60808261
3-[[2-(cyclopropylamino)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66031562
4-[[(4-methylcyclohexyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79532071
4-[(cyclopropanecarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525311
4-[[[2-(azetidin-3-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79525505
4-[(prop-2-enoylamino)methyl]cyclohexane-1-carboxylic acid
CID 18757083
4-[(pentanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 21470545
2-(cyclopentylamino)-N-(oxan-4-ylmethyl)acetamide
CID 63707149
4-[(3-methoxypropanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 79526283
cis-(1R,3S)-3-(cyclopropylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106323981

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid (CID 60808097) is 4-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid is O=C(CNC1CCC(C(=O)O)CC1)NCC1CC1.
What is the InChIKey of 4-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is FHPSQCANUUTUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c16-12(15-7-9-1-2-9)8-14-11-5-3-10(4-6-11)13(17)18/h9-11,14H,1-8H2,(H,15,16)(H,17,18).
What are the key properties of 4-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
4-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60808097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).