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

C10H12N2O4 — CID 107339556

IUPAC2-[5-(ethoxycarbonylamino)-2-pyridinyl]acetic acid
SMILESCCOC(=O)Nc1ccc(CC(=O)O)nc1
InChIInChI=1S/C10H12N2O4/c1-2-16-10(15)12-8-4-3-7(11-6-8)5-9(13)14/h3-4,6H,2,5H2,1H3,(H,12,15)(H,13,14)
InChIKeyMFGPPCYASVCFMR-UHFFFAOYSA-N
MW224.22 g/mol
LogP1.28
Rot. Bonds4

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

2-[5-(ethoxycarbonylamino)-2-pyridinyl]acetic acid (PubChem CID 107339556) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-[5-(ethoxycarbonylamino)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-(ethoxycarbonylamino)-2-pyridinyl]acetic acid
PubChem CID107339556
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name2-[5-(ethoxycarbonylamino)-2-pyridinyl]acetic acid
SMILESCCOC(=O)Nc1ccc(CC(=O)O)nc1
InChIInChI=1S/C10H12N2O4/c1-2-16-10(15)12-8-4-3-7(11-6-8)5-9(13)14/h3-4,6H,2,5H2,1H3,(H,12,15)(H,13,14)
InChIKeyMFGPPCYASVCFMR-UHFFFAOYSA-N
XLogP1.28
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(phenylmethoxycarbonylamino)-2-pyridinyl]acetic acid
CID 107338260
2-[5-(carbamoylamino)-2-pyridinyl]acetic acid
CID 107339512
2-[5-(2-aminopropanoylamino)-2-pyridinyl]acetic acid
CID 107341028
2-[5-(dimethylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107339518
2-[5-[[2-(4-methylphenyl)acetyl]amino]-2-pyridinyl]acetic acid
CID 107338384
2-[5-(2-methoxypropanoylamino)-2-pyridinyl]acetic acid
CID 107339238
ethyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 61067882
2-[5-[[2-(2-methylphenyl)acetyl]amino]-2-pyridinyl]acetic acid
CID 107338478
2-[5-[[2-(2-methoxyethylamino)acetyl]amino]-2-pyridinyl]acetic acid
CID 107340978
2-[5-[[2-(3-ethoxycyclobutyl)acetyl]amino]-2-pyridinyl]acetic acid
CID 107338759
ethyl N-[6-(propan-2-ylamino)-3-pyridinyl]carbamate
CID 115268615
ethyl N-[6-[4-(ethoxycarbonylamino)phenoxy]-3-pyridinyl]carbamate
CID 110176757

Frequently Asked Questions

What is the IUPAC name of 2-[5-(ethoxycarbonylamino)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-(ethoxycarbonylamino)-2-pyridinyl]acetic acid (CID 107339556) is 2-[5-(ethoxycarbonylamino)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-(ethoxycarbonylamino)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-(ethoxycarbonylamino)-2-pyridinyl]acetic acid is CCOC(=O)Nc1ccc(CC(=O)O)nc1.
What is the InChIKey of 2-[5-(ethoxycarbonylamino)-2-pyridinyl]acetic acid?
The InChIKey is MFGPPCYASVCFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-2-16-10(15)12-8-4-3-7(11-6-8)5-9(13)14/h3-4,6H,2,5H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 2-[5-(ethoxycarbonylamino)-2-pyridinyl]acetic acid?
2-[5-(ethoxycarbonylamino)-2-pyridinyl]acetic acid has a molecular weight of 224.22 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(ethoxycarbonylamino)-2-pyridinyl]acetic acid is sourced from PubChem (CID 107339556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).