(3R)-3-(phenylmethoxycarbonylamino)-3-quinolin-6-ylpropanoic acid

C20H18N2O4 — CID 103667779

IUPAC(3R)-3-(phenylmethoxycarbonylamino)-3-quinolin-6-ylpropanoic acid
SMILESO=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1ccc2ncccc2c1
InChIInChI=1S/C20H18N2O4/c23-19(24)12-18(16-8-9-17-15(11-16)7-4-10-21-17)22-20(25)26-13-14-5-2-1-3-6-14/h1-11,18H,12-13H2,(H,22,25)(H,23,24)/t18-/m1/s1
InChIKeyLATVWOQQSKLFMZ-GOSISDBHSA-N
MW350.37 g/mol
LogP3.68
Rot. Bonds6

About (3R)-3-(phenylmethoxycarbonylamino)-3-quinolin-6-ylpropanoic acid

(3R)-3-(phenylmethoxycarbonylamino)-3-quinolin-6-ylpropanoic acid (PubChem CID 103667779) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is (3R)-3-(phenylmethoxycarbonylamino)-3-quinolin-6-ylpropanoic acid.

Molecular Properties

Compound Name(3R)-3-(phenylmethoxycarbonylamino)-3-quinolin-6-ylpropanoic acid
PubChem CID103667779
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name(3R)-3-(phenylmethoxycarbonylamino)-3-quinolin-6-ylpropanoic acid
SMILESO=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1ccc2ncccc2c1
InChIInChI=1S/C20H18N2O4/c23-19(24)12-18(16-8-9-17-15(11-16)7-4-10-21-17)22-20(25)26-13-14-5-2-1-3-6-14/h1-11,18H,12-13H2,(H,22,25)(H,23,24)/t18-/m1/s1
InChIKeyLATVWOQQSKLFMZ-GOSISDBHSA-N
XLogP3.68
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(phenylmethoxycarbonylamino)-3-pyridin-2-ylpropanoic acid
CID 103667738
phenylmethoxycarbonylamino 4,4-dimethyl-2-quinolin-6-ylpentanoate
CID 138544887
3-(3-aminophenyl)-3-(phenylmethoxycarbonylamino)propanoic acid
CID 68816230
(3S)-3-(4-bromo-3-methylphenyl)-3-(phenylmethoxycarbonylamino)propanoic acid
CID 104941296
(3R)-3-(phenylmethoxycarbonylamino)-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 93481059
benzyl N-(2,3-dihydroxy-3-quinolin-7-ylpropyl)carbamate
CID 171856144
(3S)-3-naphthalen-2-yl-3-(prop-2-enoxycarbonylamino)propanoic acid
CID 167739374
(3R)-3-(2-hydroxyphenyl)-3-(phenylmethoxycarbonylamino)propanoic acid
CID 93481074
benzyl N-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate
CID 102386370
benzyl N-[(2S)-8-(hydroxyamino)-1,8-dioxo-1-(quinolin-6-ylamino)octan-2-yl]carbamate
CID 11155508
benzyl N-[1-(4-fluorophenyl)-3-oxo-3-phenylpropyl]carbamate
CID 12000243
3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-quinolin-3-ylpropanoic acid
CID 59681968

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(phenylmethoxycarbonylamino)-3-quinolin-6-ylpropanoic acid?
The IUPAC name of (3R)-3-(phenylmethoxycarbonylamino)-3-quinolin-6-ylpropanoic acid (CID 103667779) is (3R)-3-(phenylmethoxycarbonylamino)-3-quinolin-6-ylpropanoic acid.
What is the SMILES notation for (3R)-3-(phenylmethoxycarbonylamino)-3-quinolin-6-ylpropanoic acid?
The canonical SMILES for (3R)-3-(phenylmethoxycarbonylamino)-3-quinolin-6-ylpropanoic acid is O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1ccc2ncccc2c1.
What is the InChIKey of (3R)-3-(phenylmethoxycarbonylamino)-3-quinolin-6-ylpropanoic acid?
The InChIKey is LATVWOQQSKLFMZ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H18N2O4/c23-19(24)12-18(16-8-9-17-15(11-16)7-4-10-21-17)22-20(25)26-13-14-5-2-1-3-6-14/h1-11,18H,12-13H2,(H,22,25)(H,23,24)/t18-/m1/s1.
What are the key properties of (3R)-3-(phenylmethoxycarbonylamino)-3-quinolin-6-ylpropanoic acid?
(3R)-3-(phenylmethoxycarbonylamino)-3-quinolin-6-ylpropanoic acid has a molecular weight of 350.37 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(phenylmethoxycarbonylamino)-3-quinolin-6-ylpropanoic acid is sourced from PubChem (CID 103667779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).