(2R)-2-(phenylmethoxycarbonylamino)-3-pyridin-4-ylpropanoic acid

C16H16N2O4 — CID 91872585

IUPAC(2R)-2-(phenylmethoxycarbonylamino)-3-pyridin-4-ylpropanoic acid
SMILESO=C(N[C@H](Cc1ccncc1)C(=O)O)OCc1ccccc1
InChIInChI=1S/C16H16N2O4/c19-15(20)14(10-12-6-8-17-9-7-12)18-16(21)22-11-13-4-2-1-3-5-13/h1-9,14H,10-11H2,(H,18,21)(H,19,20)/t14-/m1/s1
InChIKeyOZAKUELEMVNARK-CQSZACIVSA-N
MW300.31 g/mol
LogP2.00
Rot. Bonds6

About (2R)-2-(phenylmethoxycarbonylamino)-3-pyridin-4-ylpropanoic acid

(2R)-2-(phenylmethoxycarbonylamino)-3-pyridin-4-ylpropanoic acid (PubChem CID 91872585) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is (2R)-2-(phenylmethoxycarbonylamino)-3-pyridin-4-ylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-(phenylmethoxycarbonylamino)-3-pyridin-4-ylpropanoic acid
PubChem CID91872585
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name(2R)-2-(phenylmethoxycarbonylamino)-3-pyridin-4-ylpropanoic acid
SMILESO=C(N[C@H](Cc1ccncc1)C(=O)O)OCc1ccccc1
InChIInChI=1S/C16H16N2O4/c19-15(20)14(10-12-6-8-17-9-7-12)18-16(21)22-11-13-4-2-1-3-5-13/h1-9,14H,10-11H2,(H,18,21)(H,19,20)/t14-/m1/s1
InChIKeyOZAKUELEMVNARK-CQSZACIVSA-N
XLogP2.00
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(phenylmethoxycarbonylamino)-3-(4-phenylphenyl)propanoic acid
CID 7010375
(2S)-3-(4-aminophenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 22309274
(2R)-2-(phenylmethoxycarbonylamino)-3-(pyridin-4-ylmethylsulfanyl)propanoic acid
CID 71389639
(2S)-4-[[(1S)-1-carboxy-2-phenylethyl]amino]-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid
CID 18601092
3-(4-methyl-3-pyridinyl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 103822530
benzyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 4283517
ethane;2-[[4-(methoxymethyl)phenyl]methoxycarbonylamino]-3-phenylpropanoic acid
CID 90811046
3-(4-carbamoylphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 22309263
(2R)-2-[[(2R)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylpropanoic acid
CID 78319243
(2S)-3-phenyl-2-[[(2S)-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoic acid
CID 59254472
(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid;prop-2-enylazanide
CID 131718648
3-(3-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 14770714

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(phenylmethoxycarbonylamino)-3-pyridin-4-ylpropanoic acid?
The IUPAC name of (2R)-2-(phenylmethoxycarbonylamino)-3-pyridin-4-ylpropanoic acid (CID 91872585) is (2R)-2-(phenylmethoxycarbonylamino)-3-pyridin-4-ylpropanoic acid.
What is the SMILES notation for (2R)-2-(phenylmethoxycarbonylamino)-3-pyridin-4-ylpropanoic acid?
The canonical SMILES for (2R)-2-(phenylmethoxycarbonylamino)-3-pyridin-4-ylpropanoic acid is O=C(N[C@H](Cc1ccncc1)C(=O)O)OCc1ccccc1.
What is the InChIKey of (2R)-2-(phenylmethoxycarbonylamino)-3-pyridin-4-ylpropanoic acid?
The InChIKey is OZAKUELEMVNARK-CQSZACIVSA-N. The full InChI is InChI=1S/C16H16N2O4/c19-15(20)14(10-12-6-8-17-9-7-12)18-16(21)22-11-13-4-2-1-3-5-13/h1-9,14H,10-11H2,(H,18,21)(H,19,20)/t14-/m1/s1.
What are the key properties of (2R)-2-(phenylmethoxycarbonylamino)-3-pyridin-4-ylpropanoic acid?
(2R)-2-(phenylmethoxycarbonylamino)-3-pyridin-4-ylpropanoic acid has a molecular weight of 300.31 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(phenylmethoxycarbonylamino)-3-pyridin-4-ylpropanoic acid is sourced from PubChem (CID 91872585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).