2-(benzylcarbamoylamino)-2-cyclohexylacetic acid

C16H22N2O3 — CID 61182880

IUPAC2-(benzylcarbamoylamino)-2-cyclohexylacetic acid
SMILESO=C(NCc1ccccc1)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C16H22N2O3/c19-15(20)14(13-9-5-2-6-10-13)18-16(21)17-11-12-7-3-1-4-8-12/h1,3-4,7-8,13-14H,2,5-6,9-11H2,(H,19,20)(H2,17,18,21)
InChIKeyVXJSTMQBOGHBDJ-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.52
Rot. Bonds5

About 2-(benzylcarbamoylamino)-2-cyclohexylacetic acid

2-(benzylcarbamoylamino)-2-cyclohexylacetic acid (PubChem CID 61182880) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-(benzylcarbamoylamino)-2-cyclohexylacetic acid.

Molecular Properties

Compound Name2-(benzylcarbamoylamino)-2-cyclohexylacetic acid
PubChem CID61182880
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-(benzylcarbamoylamino)-2-cyclohexylacetic acid
SMILESO=C(NCc1ccccc1)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C16H22N2O3/c19-15(20)14(13-9-5-2-6-10-13)18-16(21)17-11-12-7-3-1-4-8-12/h1,3-4,7-8,13-14H,2,5-6,9-11H2,(H,19,20)(H2,17,18,21)
InChIKeyVXJSTMQBOGHBDJ-UHFFFAOYSA-N
XLogP2.52
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-2-(thiophen-2-ylmethylcarbamoylamino)acetic acid
CID 61195980
2-cyclopropyl-2-[(4-methylphenyl)methylcarbamoylamino]acetic acid
CID 62710013
2-cyclohexyl-2-[(1-methylcyclopropyl)methylcarbamoylamino]acetic acid
CID 113364251
2-cyclohexyl-2-(1H-imidazol-2-ylmethylcarbamoylamino)acetic acid
CID 64523352
2-cyclohexyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]acetic acid
CID 63303976
1-benzyl-3-(cyclohexylcarbamothioyl)urea
CID 134871380
2-cyclopropyl-2-[(3,4-difluorophenyl)methylcarbamoylamino]acetic acid
CID 62711747
2-cyclopropyl-2-(pyridin-2-ylmethylcarbamoylamino)acetic acid
CID 62709675
2-cyclohexyl-2-(propylcarbamoylamino)acetic acid
CID 61014378
2-(benzylcarbamoylamino)-3-hydroxypropanoic acid
CID 61183567
(2R)-2-(benzylcarbamoylamino)-3-hydroxypropanoic acid
CID 80749676
1-benzyl-3-(1-piperidin-3-ylethyl)urea
CID 107653393

Frequently Asked Questions

What is the IUPAC name of 2-(benzylcarbamoylamino)-2-cyclohexylacetic acid?
The IUPAC name of 2-(benzylcarbamoylamino)-2-cyclohexylacetic acid (CID 61182880) is 2-(benzylcarbamoylamino)-2-cyclohexylacetic acid.
What is the SMILES notation for 2-(benzylcarbamoylamino)-2-cyclohexylacetic acid?
The canonical SMILES for 2-(benzylcarbamoylamino)-2-cyclohexylacetic acid is O=C(NCc1ccccc1)NC(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-(benzylcarbamoylamino)-2-cyclohexylacetic acid?
The InChIKey is VXJSTMQBOGHBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-15(20)14(13-9-5-2-6-10-13)18-16(21)17-11-12-7-3-1-4-8-12/h1,3-4,7-8,13-14H,2,5-6,9-11H2,(H,19,20)(H2,17,18,21).
What are the key properties of 2-(benzylcarbamoylamino)-2-cyclohexylacetic acid?
2-(benzylcarbamoylamino)-2-cyclohexylacetic acid has a molecular weight of 290.36 g/mol, XLogP of 2.52, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylcarbamoylamino)-2-cyclohexylacetic acid is sourced from PubChem (CID 61182880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).