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

C13H18N4O4 — CID 61449719

IUPAC2-[[2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]acetyl]amino]acetic acid
SMILESCCN(Cc1ccncc1)C(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C13H18N4O4/c1-2-17(9-10-3-5-14-6-4-10)13(21)16-7-11(18)15-8-12(19)20/h3-6H,2,7-9H2,1H3,(H,15,18)(H,16,21)(H,19,20)
InChIKeyBAHGOQALQXDTNJ-UHFFFAOYSA-N
MW294.31 g/mol
LogP-0.19
Rot. Bonds7

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

2-[[2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]acetyl]amino]acetic acid (PubChem CID 61449719) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[[2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]acetyl]amino]acetic acid
PubChem CID61449719
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name2-[[2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]acetyl]amino]acetic acid
SMILESCCN(Cc1ccncc1)C(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C13H18N4O4/c1-2-17(9-10-3-5-14-6-4-10)13(21)16-7-11(18)15-8-12(19)20/h3-6H,2,7-9H2,1H3,(H,15,18)(H,16,21)(H,19,20)
InChIKeyBAHGOQALQXDTNJ-UHFFFAOYSA-N
XLogP-0.19
TPSA111.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]acetic acid
CID 61449449
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-[[2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]acetyl]amino]acetic acid (CID 61449719) is 2-[[2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]acetyl]amino]acetic acid is CCN(Cc1ccncc1)C(=O)NCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]acetyl]amino]acetic acid?
The InChIKey is BAHGOQALQXDTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4/c1-2-17(9-10-3-5-14-6-4-10)13(21)16-7-11(18)15-8-12(19)20/h3-6H,2,7-9H2,1H3,(H,15,18)(H,16,21)(H,19,20).
What are the key properties of 2-[[2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]acetyl]amino]acetic acid?
2-[[2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]acetyl]amino]acetic acid has a molecular weight of 294.31 g/mol, XLogP of -0.19, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]acetyl]amino]acetic acid is sourced from PubChem (CID 61449719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).