(2S)-2-[[4-(cyclopropylmethoxy)phenyl]methylamino]-2-phenylacetic acid

C19H21NO3 — CID 120511834

IUPAC(2S)-2-[[4-(cyclopropylmethoxy)phenyl]methylamino]-2-phenylacetic acid
SMILESO=C(O)[C@@H](NCc1ccc(OCC2CC2)cc1)c1ccccc1
InChIInChI=1S/C19H21NO3/c21-19(22)18(16-4-2-1-3-5-16)20-12-14-8-10-17(11-9-14)23-13-15-6-7-15/h1-5,8-11,15,18,20H,6-7,12-13H2,(H,21,22)/t18-/m0/s1
InChIKeyCHPZKWIQQJEMFQ-SFHVURJKSA-N
MW311.38 g/mol
LogP3.39
Rot. Bonds8

About (2S)-2-[[4-(cyclopropylmethoxy)phenyl]methylamino]-2-phenylacetic acid

(2S)-2-[[4-(cyclopropylmethoxy)phenyl]methylamino]-2-phenylacetic acid (PubChem CID 120511834) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is (2S)-2-[[4-(cyclopropylmethoxy)phenyl]methylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-[[4-(cyclopropylmethoxy)phenyl]methylamino]-2-phenylacetic acid
PubChem CID120511834
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name(2S)-2-[[4-(cyclopropylmethoxy)phenyl]methylamino]-2-phenylacetic acid
SMILESO=C(O)[C@@H](NCc1ccc(OCC2CC2)cc1)c1ccccc1
InChIInChI=1S/C19H21NO3/c21-19(22)18(16-4-2-1-3-5-16)20-12-14-8-10-17(11-9-14)23-13-15-6-7-15/h1-5,8-11,15,18,20H,6-7,12-13H2,(H,21,22)/t18-/m0/s1
InChIKeyCHPZKWIQQJEMFQ-SFHVURJKSA-N
XLogP3.39
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[4-(2-methylpropoxy)phenyl]methylamino]-2-phenylacetic acid
CID 120510362
(2S)-2-[[4-(cyclopropylmethoxy)phenyl]methylamino]-3-methylbutanoic acid
CID 120510622
(2S)-2-[[4-(2-methylpropoxy)phenyl]methylamino]-2-phenylacetic acid
CID 120511819
ethyl (3S)-3-[[4-(cyclopropylmethoxy)phenyl]methylamino]-3-phenylpropanoate
CID 118176607
(2S)-2-[(4-cyclobutylphenyl)methylamino]-2-phenylacetic acid
CID 122038518
(2S)-2-[[4-(cyclopropylmethoxy)phenyl]methylamino]propanamide
CID 10490793
2-(benzylamino)-2-(4-cyclopropylphenyl)acetic acid
CID 79972990
(2S)-2-[[4-(aminomethyl)phenyl]methylamino]-2-phenylacetic acid
CID 68782379
2-[(4-methylphenyl)methylamino]-2-phenylacetic acid
CID 55036353
(2R)-2-(benzylamino)-2-(4-methoxyphenyl)acetic acid
CID 10612160
2-(4-ethoxyphenyl)-2-[(4-methylphenyl)methylamino]acetic acid
CID 82344798
(2S)-2-phenyl-2-[(4-propan-2-ylcyclohexyl)methylamino]acetic acid
CID 122038525

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-(cyclopropylmethoxy)phenyl]methylamino]-2-phenylacetic acid?
The IUPAC name of (2S)-2-[[4-(cyclopropylmethoxy)phenyl]methylamino]-2-phenylacetic acid (CID 120511834) is (2S)-2-[[4-(cyclopropylmethoxy)phenyl]methylamino]-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-[[4-(cyclopropylmethoxy)phenyl]methylamino]-2-phenylacetic acid?
The canonical SMILES for (2S)-2-[[4-(cyclopropylmethoxy)phenyl]methylamino]-2-phenylacetic acid is O=C(O)[C@@H](NCc1ccc(OCC2CC2)cc1)c1ccccc1.
What is the InChIKey of (2S)-2-[[4-(cyclopropylmethoxy)phenyl]methylamino]-2-phenylacetic acid?
The InChIKey is CHPZKWIQQJEMFQ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21NO3/c21-19(22)18(16-4-2-1-3-5-16)20-12-14-8-10-17(11-9-14)23-13-15-6-7-15/h1-5,8-11,15,18,20H,6-7,12-13H2,(H,21,22)/t18-/m0/s1.
What are the key properties of (2S)-2-[[4-(cyclopropylmethoxy)phenyl]methylamino]-2-phenylacetic acid?
(2S)-2-[[4-(cyclopropylmethoxy)phenyl]methylamino]-2-phenylacetic acid has a molecular weight of 311.38 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-(cyclopropylmethoxy)phenyl]methylamino]-2-phenylacetic acid is sourced from PubChem (CID 120511834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).