(2R)-2-[[4-(2-methylpropoxy)phenyl]methylamino]-2-phenylacetic acid

C19H23NO3 — CID 120510362

IUPAC(2R)-2-[[4-(2-methylpropoxy)phenyl]methylamino]-2-phenylacetic acid
SMILESCC(C)COc1ccc(CN[C@@H](C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C19H23NO3/c1-14(2)13-23-17-10-8-15(9-11-17)12-20-18(19(21)22)16-6-4-3-5-7-16/h3-11,14,18,20H,12-13H2,1-2H3,(H,21,22)/t18-/m1/s1
InChIKeyFRRCADQTJZCBEL-GOSISDBHSA-N
MW313.40 g/mol
LogP3.64
Rot. Bonds8

About (2R)-2-[[4-(2-methylpropoxy)phenyl]methylamino]-2-phenylacetic acid

(2R)-2-[[4-(2-methylpropoxy)phenyl]methylamino]-2-phenylacetic acid (PubChem CID 120510362) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is (2R)-2-[[4-(2-methylpropoxy)phenyl]methylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[[4-(2-methylpropoxy)phenyl]methylamino]-2-phenylacetic acid
PubChem CID120510362
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name(2R)-2-[[4-(2-methylpropoxy)phenyl]methylamino]-2-phenylacetic acid
SMILESCC(C)COc1ccc(CN[C@@H](C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C19H23NO3/c1-14(2)13-23-17-10-8-15(9-11-17)12-20-18(19(21)22)16-6-4-3-5-7-16/h3-11,14,18,20H,12-13H2,1-2H3,(H,21,22)/t18-/m1/s1
InChIKeyFRRCADQTJZCBEL-GOSISDBHSA-N
XLogP3.64
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[4-(2-methylpropoxy)phenyl]methylamino]-2-phenylacetic acid
CID 120511819
(2S)-2-[[4-(cyclopropylmethoxy)phenyl]methylamino]-2-phenylacetic acid
CID 120511834
2-[(4-methylphenyl)methylamino]-2-phenylacetic acid
CID 55036353
(2R)-2-(benzylamino)-2-(4-methoxyphenyl)acetic acid
CID 10612160
(1R)-N-[[4-(2-methylpropoxy)phenyl]methyl]-2-[(S)-methylsulfinyl]-1-phenylethanamine
CID 97347478
3-[4-(2-methylpropoxy)phenyl]-2-phenylpropanoic acid
CID 82160480
2-(4-ethoxyphenyl)-2-[(4-methylphenyl)methylamino]acetic acid
CID 82344798
(2S)-2-[[4-(aminomethyl)phenyl]methylamino]-2-phenylacetic acid
CID 68782379
N-[[4-(2-methylpropoxy)phenyl]methyl]-1-phenylmethanamine
CID 39369134
(2R)-2-[(4-methoxyphenyl)methylamino]-2-phenyl-N-propan-2-ylacetamide
CID 94640724
1,3-bis[[4-(2-methylpropoxy)phenyl]methyl]urea;ethane
CID 143580549
(2R)-2-(benzylamino)-2-(4-methylphenyl)acetic acid
CID 10587129

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(2-methylpropoxy)phenyl]methylamino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[[4-(2-methylpropoxy)phenyl]methylamino]-2-phenylacetic acid (CID 120510362) is (2R)-2-[[4-(2-methylpropoxy)phenyl]methylamino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[[4-(2-methylpropoxy)phenyl]methylamino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[[4-(2-methylpropoxy)phenyl]methylamino]-2-phenylacetic acid is CC(C)COc1ccc(CN[C@@H](C(=O)O)c2ccccc2)cc1.
What is the InChIKey of (2R)-2-[[4-(2-methylpropoxy)phenyl]methylamino]-2-phenylacetic acid?
The InChIKey is FRRCADQTJZCBEL-GOSISDBHSA-N. The full InChI is InChI=1S/C19H23NO3/c1-14(2)13-23-17-10-8-15(9-11-17)12-20-18(19(21)22)16-6-4-3-5-7-16/h3-11,14,18,20H,12-13H2,1-2H3,(H,21,22)/t18-/m1/s1.
What are the key properties of (2R)-2-[[4-(2-methylpropoxy)phenyl]methylamino]-2-phenylacetic acid?
(2R)-2-[[4-(2-methylpropoxy)phenyl]methylamino]-2-phenylacetic acid has a molecular weight of 313.40 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(2-methylpropoxy)phenyl]methylamino]-2-phenylacetic acid is sourced from PubChem (CID 120510362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).