2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]acetic acid

C11H15N3O3 — CID 61449449

IUPAC2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]acetic acid
SMILESCCN(Cc1ccncc1)C(=O)NCC(=O)O
InChIInChI=1S/C11H15N3O3/c1-2-14(11(17)13-7-10(15)16)8-9-3-5-12-6-4-9/h3-6H,2,7-8H2,1H3,(H,13,17)(H,15,16)
InChIKeyIZWSCGFNXAOYFR-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.70
Rot. Bonds5

About 2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]acetic acid

2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]acetic acid (PubChem CID 61449449) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]acetic acid
PubChem CID61449449
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]acetic acid
SMILESCCN(Cc1ccncc1)C(=O)NCC(=O)O
InChIInChI=1S/C11H15N3O3/c1-2-14(11(17)13-7-10(15)16)8-9-3-5-12-6-4-9/h3-6H,2,7-8H2,1H3,(H,13,17)(H,15,16)
InChIKeyIZWSCGFNXAOYFR-UHFFFAOYSA-N
XLogP0.70
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]acetyl]amino]acetic acid
CID 61449719
5-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-2-methylpentanoic acid
CID 104686367
3-[ethyl(pyridin-4-ylmethylcarbamoyl)amino]propanoic acid
CID 61194015
(2R)-2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 80756242
2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid
CID 121496520
2-[1-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79842224
6-[ethyl(pyridin-4-ylmethyl)amino]-6-oxohexanoic acid
CID 54876323
2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]acetic acid
CID 60914415
3-(4-chlorophenyl)-1-ethyl-1-(pyridin-4-ylmethyl)urea
CID 17180082
2-anilino-N-ethyl-N-(pyridin-4-ylmethyl)acetamide
CID 60962477
N-ethyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 564270
4-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027367

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]acetic acid (CID 61449449) is 2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]acetic acid is CCN(Cc1ccncc1)C(=O)NCC(=O)O.
What is the InChIKey of 2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]acetic acid?
The InChIKey is IZWSCGFNXAOYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-2-14(11(17)13-7-10(15)16)8-9-3-5-12-6-4-9/h3-6H,2,7-8H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]acetic acid?
2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]acetic acid has a molecular weight of 237.26 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 61449449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).