(2R)-2-[(4-phenylcyclohexyl)methylamino]propanoic acid

C16H23NO2 — CID 122038120

IUPAC(2R)-2-[(4-phenylcyclohexyl)methylamino]propanoic acid
SMILESC[C@@H](NCC1CCC(c2ccccc2)CC1)C(=O)O
InChIInChI=1S/C16H23NO2/c1-12(16(18)19)17-11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-6,12-13,15,17H,7-11H2,1H3,(H,18,19)/t12-,13?,15?/m1/s1
InChIKeyINJCOORYPIALSC-DNOWBOINSA-N
MW261.37 g/mol
LogP3.02
Rot. Bonds5

About (2R)-2-[(4-phenylcyclohexyl)methylamino]propanoic acid

(2R)-2-[(4-phenylcyclohexyl)methylamino]propanoic acid (PubChem CID 122038120) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is (2R)-2-[(4-phenylcyclohexyl)methylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4-phenylcyclohexyl)methylamino]propanoic acid
PubChem CID122038120
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name(2R)-2-[(4-phenylcyclohexyl)methylamino]propanoic acid
SMILESC[C@@H](NCC1CCC(c2ccccc2)CC1)C(=O)O
InChIInChI=1S/C16H23NO2/c1-12(16(18)19)17-11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-6,12-13,15,17H,7-11H2,1H3,(H,18,19)/t12-,13?,15?/m1/s1
InChIKeyINJCOORYPIALSC-DNOWBOINSA-N
XLogP3.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-hydroxypropan-2-yl)-3-[(4-phenylcyclohexyl)methyl]urea
CID 111109574
2-(cyclopentylmethylamino)propanoic acid
CID 61344306
2-(methanesulfonamido)-N-[(4-phenylcyclohexyl)methyl]propanamide
CID 56783962
2-[(4-phenylcyclohexanecarbonyl)amino]propanoic acid
CID 119225869
2-[(4-phenylcyclohexyl)methyl]propanedioic acid
CID 18768944
2-methyl-3-[[2-(4-phenylcyclohexyl)acetyl]amino]propanoic acid
CID 119237415
1-(2-hydroxyethyl)-1-methyl-3-[(4-phenylcyclohexyl)methyl]urea
CID 84593172
4-[(4-phenylcyclohexyl)methylamino]butanoic acid
CID 122035940
2-[(3-methylcyclopentyl)methylamino]propanoic acid
CID 107411961
4-[(4-phenylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid
CID 122031272
(2S)-2-phenyl-2-[(4-propan-2-ylcyclohexyl)methylamino]acetic acid
CID 122038525
3-methyl-1-(3-phenylcyclopentyl)butan-2-one
CID 155207615

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-phenylcyclohexyl)methylamino]propanoic acid?
The IUPAC name of (2R)-2-[(4-phenylcyclohexyl)methylamino]propanoic acid (CID 122038120) is (2R)-2-[(4-phenylcyclohexyl)methylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[(4-phenylcyclohexyl)methylamino]propanoic acid?
The canonical SMILES for (2R)-2-[(4-phenylcyclohexyl)methylamino]propanoic acid is C[C@@H](NCC1CCC(c2ccccc2)CC1)C(=O)O.
What is the InChIKey of (2R)-2-[(4-phenylcyclohexyl)methylamino]propanoic acid?
The InChIKey is INJCOORYPIALSC-DNOWBOINSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12(16(18)19)17-11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-6,12-13,15,17H,7-11H2,1H3,(H,18,19)/t12-,13?,15?/m1/s1.
What are the key properties of (2R)-2-[(4-phenylcyclohexyl)methylamino]propanoic acid?
(2R)-2-[(4-phenylcyclohexyl)methylamino]propanoic acid has a molecular weight of 261.37 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-phenylcyclohexyl)methylamino]propanoic acid is sourced from PubChem (CID 122038120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).