2-[5-(phenylmethoxycarbonylamino)-2-pyridinyl]acetic acid

C15H14N2O4 — CID 107338260

IUPAC2-[5-(phenylmethoxycarbonylamino)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)OCc2ccccc2)cn1
InChIInChI=1S/C15H14N2O4/c18-14(19)8-12-6-7-13(9-16-12)17-15(20)21-10-11-4-2-1-3-5-11/h1-7,9H,8,10H2,(H,17,20)(H,18,19)
InChIKeyPXUGAARUCLIHPP-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.46
Rot. Bonds5

About 2-[5-(phenylmethoxycarbonylamino)-2-pyridinyl]acetic acid

2-[5-(phenylmethoxycarbonylamino)-2-pyridinyl]acetic acid (PubChem CID 107338260) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-[5-(phenylmethoxycarbonylamino)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-(phenylmethoxycarbonylamino)-2-pyridinyl]acetic acid
PubChem CID107338260
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name2-[5-(phenylmethoxycarbonylamino)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)OCc2ccccc2)cn1
InChIInChI=1S/C15H14N2O4/c18-14(19)8-12-6-7-13(9-16-12)17-15(20)21-10-11-4-2-1-3-5-11/h1-7,9H,8,10H2,(H,17,20)(H,18,19)
InChIKeyPXUGAARUCLIHPP-UHFFFAOYSA-N
XLogP2.46
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(ethoxycarbonylamino)-2-pyridinyl]acetic acid
CID 107339556
benzyl N-(6-butoxy-3-pyridinyl)carbamate
CID 42691168
2-[5-[3-(phenylmethoxycarbonylamino)prop-1-enyl]-2-pyridinyl]acetic acid
CID 169472043
2-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]acetic acid
CID 125458336
benzyl N-[4-(chlorooxymethyl)phenyl]carbamate
CID 70641351
2-[5-[(2-pyridin-3-ylacetyl)amino]-2-pyridinyl]acetic acid
CID 107339387
2-[5-[[2-(4-aminophenyl)acetyl]amino]-2-pyridinyl]acetic acid
CID 107340926
2-[5-(2-aminopropanoylamino)-2-pyridinyl]acetic acid
CID 107341028
2-[5-(dimethylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107339518
benzyl N-[4-(2-aminoethyl)phenyl]carbamate
CID 86810400
benzyl N-(4-acetylphenyl)carbamate
CID 2994007
2-[5-(2-methoxypropanoylamino)-2-pyridinyl]acetic acid
CID 107339238

Frequently Asked Questions

What is the IUPAC name of 2-[5-(phenylmethoxycarbonylamino)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-(phenylmethoxycarbonylamino)-2-pyridinyl]acetic acid (CID 107338260) is 2-[5-(phenylmethoxycarbonylamino)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-(phenylmethoxycarbonylamino)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-(phenylmethoxycarbonylamino)-2-pyridinyl]acetic acid is O=C(O)Cc1ccc(NC(=O)OCc2ccccc2)cn1.
What is the InChIKey of 2-[5-(phenylmethoxycarbonylamino)-2-pyridinyl]acetic acid?
The InChIKey is PXUGAARUCLIHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c18-14(19)8-12-6-7-13(9-16-12)17-15(20)21-10-11-4-2-1-3-5-11/h1-7,9H,8,10H2,(H,17,20)(H,18,19).
What are the key properties of 2-[5-(phenylmethoxycarbonylamino)-2-pyridinyl]acetic acid?
2-[5-(phenylmethoxycarbonylamino)-2-pyridinyl]acetic acid has a molecular weight of 286.29 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(phenylmethoxycarbonylamino)-2-pyridinyl]acetic acid is sourced from PubChem (CID 107338260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).