2-[carboxymethyl(2-imidazol-1-ylethylcarbamoyl)amino]acetic acid

C10H14N4O5 — CID 63646315

IUPAC2-[carboxymethyl(2-imidazol-1-ylethylcarbamoyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)NCCn1ccnc1
InChIInChI=1S/C10H14N4O5/c15-8(16)5-14(6-9(17)18)10(19)12-2-4-13-3-1-11-7-13/h1,3,7H,2,4-6H2,(H,12,19)(H,15,16)(H,17,18)
InChIKeySMWFZYSUOUTSDN-UHFFFAOYSA-N
MW270.24 g/mol
LogP-0.94
Rot. Bonds7

About 2-[carboxymethyl(2-imidazol-1-ylethylcarbamoyl)amino]acetic acid

2-[carboxymethyl(2-imidazol-1-ylethylcarbamoyl)amino]acetic acid (PubChem CID 63646315) has the molecular formula C10H14N4O5 and a molecular weight of 270.24 g/mol. Its IUPAC name is 2-[carboxymethyl(2-imidazol-1-ylethylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(2-imidazol-1-ylethylcarbamoyl)amino]acetic acid
PubChem CID63646315
Molecular FormulaC10H14N4O5
Molecular Weight270.24 g/mol
Exact Mass270.10
IUPAC Name2-[carboxymethyl(2-imidazol-1-ylethylcarbamoyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)NCCn1ccnc1
InChIInChI=1S/C10H14N4O5/c15-8(16)5-14(6-9(17)18)10(19)12-2-4-13-3-1-11-7-13/h1,3,7H,2,4-6H2,(H,12,19)(H,15,16)(H,17,18)
InChIKeySMWFZYSUOUTSDN-UHFFFAOYSA-N
XLogP-0.94
TPSA124.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 61184302
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2-imidazol-1-ylethylurea
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CID 61461843
1-(2-chloroethyl)-3-(2-imidazol-1-ylethyl)-1-nitrosourea
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2-[ethyl(1-imidazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid
CID 61480594
N-(2-imidazol-1-ylethyl)-3-oxo-3-phenylpropanamide
CID 110473171
1-(cyclopropylmethyl)-3-(2-imidazol-1-ylethyl)-1-[(4-methylmorpholin-2-yl)methyl]urea
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2-bromo-N-(2-imidazol-1-ylethyl)propanamide
CID 82108600

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(2-imidazol-1-ylethylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl(2-imidazol-1-ylethylcarbamoyl)amino]acetic acid (CID 63646315) is 2-[carboxymethyl(2-imidazol-1-ylethylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(2-imidazol-1-ylethylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl(2-imidazol-1-ylethylcarbamoyl)amino]acetic acid is O=C(O)CN(CC(=O)O)C(=O)NCCn1ccnc1.
What is the InChIKey of 2-[carboxymethyl(2-imidazol-1-ylethylcarbamoyl)amino]acetic acid?
The InChIKey is SMWFZYSUOUTSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O5/c15-8(16)5-14(6-9(17)18)10(19)12-2-4-13-3-1-11-7-13/h1,3,7H,2,4-6H2,(H,12,19)(H,15,16)(H,17,18).
What are the key properties of 2-[carboxymethyl(2-imidazol-1-ylethylcarbamoyl)amino]acetic acid?
2-[carboxymethyl(2-imidazol-1-ylethylcarbamoyl)amino]acetic acid has a molecular weight of 270.24 g/mol, XLogP of -0.94, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(2-imidazol-1-ylethylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 63646315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).