3-[(2-phenylcyclohexyl)methylcarbamoylamino]propanoic acid

C17H24N2O3 — CID 122016808

IUPAC3-[(2-phenylcyclohexyl)methylcarbamoylamino]propanoic acid
SMILESO=C(O)CCNC(=O)NCC1CCCCC1c1ccccc1
InChIInChI=1S/C17H24N2O3/c20-16(21)10-11-18-17(22)19-12-14-8-4-5-9-15(14)13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12H2,(H,20,21)(H2,18,19,22)
InChIKeyLRRRSZVWHLMVJX-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.73
Rot. Bonds6

About 3-[(2-phenylcyclohexyl)methylcarbamoylamino]propanoic acid

3-[(2-phenylcyclohexyl)methylcarbamoylamino]propanoic acid (PubChem CID 122016808) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-[(2-phenylcyclohexyl)methylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2-phenylcyclohexyl)methylcarbamoylamino]propanoic acid
PubChem CID122016808
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name3-[(2-phenylcyclohexyl)methylcarbamoylamino]propanoic acid
SMILESO=C(O)CCNC(=O)NCC1CCCCC1c1ccccc1
InChIInChI=1S/C17H24N2O3/c20-16(21)10-11-18-17(22)19-12-14-8-4-5-9-15(14)13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12H2,(H,20,21)(H2,18,19,22)
InChIKeyLRRRSZVWHLMVJX-UHFFFAOYSA-N
XLogP2.73
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(1R,2R)-2-phenylcyclopropyl]methylcarbamoylamino]butanoic acid
CID 122015490
3-[(2-phenylcyclohexyl)amino]propanoic acid
CID 43774837
1-[(2-phenylcyclohexyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122016810
(3aS,6aR)-N-[(2-phenylcyclohexyl)methyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole-5-carboxamide
CID 146095411
[(1R,2R)-2-(chloromethyl)cyclohexyl]benzene
CID 130762341
1-cyclopropyl-3-[[(1R,2S)-2-phenylcyclopropyl]methyl]urea
CID 97081607
methyl 3-[(1S,2R)-2-phenylcyclopentyl]propanoate
CID 101026694
3-[[(1R,2R)-2-(2,4-dichlorophenyl)cyclopropyl]methylcarbamoylamino]propanoic acid
CID 122015502
3-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)propanoic acid
CID 55231648
3-(thian-3-ylmethylcarbamoylamino)propanoic acid
CID 117235193
1-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-3-[2-(N-methylanilino)ethyl]urea
CID 98775452
N-cyclopropyl-3-[(2-phenylcyclohexyl)amino]propanamide
CID 79377780

Frequently Asked Questions

What is the IUPAC name of 3-[(2-phenylcyclohexyl)methylcarbamoylamino]propanoic acid?
The IUPAC name of 3-[(2-phenylcyclohexyl)methylcarbamoylamino]propanoic acid (CID 122016808) is 3-[(2-phenylcyclohexyl)methylcarbamoylamino]propanoic acid.
What is the SMILES notation for 3-[(2-phenylcyclohexyl)methylcarbamoylamino]propanoic acid?
The canonical SMILES for 3-[(2-phenylcyclohexyl)methylcarbamoylamino]propanoic acid is O=C(O)CCNC(=O)NCC1CCCCC1c1ccccc1.
What is the InChIKey of 3-[(2-phenylcyclohexyl)methylcarbamoylamino]propanoic acid?
The InChIKey is LRRRSZVWHLMVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c20-16(21)10-11-18-17(22)19-12-14-8-4-5-9-15(14)13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12H2,(H,20,21)(H2,18,19,22).
What are the key properties of 3-[(2-phenylcyclohexyl)methylcarbamoylamino]propanoic acid?
3-[(2-phenylcyclohexyl)methylcarbamoylamino]propanoic acid has a molecular weight of 304.39 g/mol, XLogP of 2.73, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-phenylcyclohexyl)methylcarbamoylamino]propanoic acid is sourced from PubChem (CID 122016808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).