2-[ethyl-[(6-methoxy-3-pyridinyl)carbamoyl]amino]acetic acid

C11H15N3O4 — CID 61186914

IUPAC2-[ethyl-[(6-methoxy-3-pyridinyl)carbamoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)Nc1ccc(OC)nc1
InChIInChI=1S/C11H15N3O4/c1-3-14(7-10(15)16)11(17)13-8-4-5-9(18-2)12-6-8/h4-6H,3,7H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyNBBZIFFJFDHHBK-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.03
Rot. Bonds5

About 2-[ethyl-[(6-methoxy-3-pyridinyl)carbamoyl]amino]acetic acid

2-[ethyl-[(6-methoxy-3-pyridinyl)carbamoyl]amino]acetic acid (PubChem CID 61186914) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[ethyl-[(6-methoxy-3-pyridinyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[(6-methoxy-3-pyridinyl)carbamoyl]amino]acetic acid
PubChem CID61186914
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-[ethyl-[(6-methoxy-3-pyridinyl)carbamoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)Nc1ccc(OC)nc1
InChIInChI=1S/C11H15N3O4/c1-3-14(7-10(15)16)11(17)13-8-4-5-9(18-2)12-6-8/h4-6H,3,7H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyNBBZIFFJFDHHBK-UHFFFAOYSA-N
XLogP1.03
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-[(6-methoxy-3-pyridinyl)amino]propanamide
CID 43114034
2-[ethyl-[(4-propoxyphenyl)carbamoyl]amino]acetic acid
CID 62329042
2-[[4-(diethylamino)phenyl]carbamoyl-ethylamino]acetic acid
CID 63180254
4-[(6-methoxy-3-pyridinyl)carbamoyl-propan-2-ylamino]butanoic acid
CID 61186550
1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(6-methoxy-3-pyridinyl)urea
CID 118760709
2-chloro-N-(6-methoxy-3-pyridinyl)acetamide
CID 2561820
1-[2-(dimethylamino)ethyl]-1-[(3-hydroxyphenyl)methyl]-3-(6-methoxy-3-pyridinyl)urea
CID 47848491
(2S)-2-amino-N-(6-methoxy-3-pyridinyl)butanamide
CID 79025042
N-(6-methoxy-3-pyridinyl)-4-phenylbutanamide
CID 52615794
1-(2-hydroxyethyl)-3-(6-methoxy-3-pyridinyl)urea
CID 47237458
2-[ethyl-[(4-methoxy-2-methylphenyl)carbamoyl]amino]acetic acid
CID 55129490
2-[2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl(ethyl)amino]acetic acid
CID 61185393

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(6-methoxy-3-pyridinyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[(6-methoxy-3-pyridinyl)carbamoyl]amino]acetic acid (CID 61186914) is 2-[ethyl-[(6-methoxy-3-pyridinyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[(6-methoxy-3-pyridinyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[(6-methoxy-3-pyridinyl)carbamoyl]amino]acetic acid is CCN(CC(=O)O)C(=O)Nc1ccc(OC)nc1.
What is the InChIKey of 2-[ethyl-[(6-methoxy-3-pyridinyl)carbamoyl]amino]acetic acid?
The InChIKey is NBBZIFFJFDHHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-3-14(7-10(15)16)11(17)13-8-4-5-9(18-2)12-6-8/h4-6H,3,7H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 2-[ethyl-[(6-methoxy-3-pyridinyl)carbamoyl]amino]acetic acid?
2-[ethyl-[(6-methoxy-3-pyridinyl)carbamoyl]amino]acetic acid has a molecular weight of 253.26 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(6-methoxy-3-pyridinyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 61186914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).