methyl 2-(imidazole-1-carbonylamino)acetate

C7H9N3O3 — CID 33435318

IUPACmethyl 2-(imidazole-1-carbonylamino)acetate
SMILESCOC(=O)CNC(=O)n1ccnc1
InChIInChI=1S/C7H9N3O3/c1-13-6(11)4-9-7(12)10-3-2-8-5-10/h2-3,5H,4H2,1H3,(H,9,12)
InChIKeyNFIMTWGTNSFCTF-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.39
Rot. Bonds2

About methyl 2-(imidazole-1-carbonylamino)acetate

methyl 2-(imidazole-1-carbonylamino)acetate (PubChem CID 33435318) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is methyl 2-(imidazole-1-carbonylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(imidazole-1-carbonylamino)acetate
PubChem CID33435318
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Namemethyl 2-(imidazole-1-carbonylamino)acetate
SMILESCOC(=O)CNC(=O)n1ccnc1
InChIInChI=1S/C7H9N3O3/c1-13-6(11)4-9-7(12)10-3-2-8-5-10/h2-3,5H,4H2,1H3,(H,9,12)
InChIKeyNFIMTWGTNSFCTF-UHFFFAOYSA-N
XLogP-0.39
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 1H-imidazole-1-carboxylate
CID 87963
ethyl 2-(1H-imidazol-1-yl)acetate
CID 3798501
Methyl 1H-imidazole-1-carboxylate
CID 580911
ethyl 1-methyl-1H-imidazole-2-carboxylate
CID 4261883
(1,3-dimethylimidazol-1-ium-2-yl)methyl N-methylcarbamate iodide
CID 15945653
Methyl 1H-imidazol-1-ylacetate
CID 557332
1-Ethyl-3-methylimidazolium aminoacetate
CID 55212081
(2-Amino-1H-imidazol-1-yl)acetic acid
CID 10219481
2-[(Imidazole-1-carbonyl)-amino]-pentanoic acid methyl ester
CID 44306172
N-ethyl-1H-imidazole-1-carboxamide
CID 12784366
2-(1H-imidazol-1-yl)ethyl dimethylcarbamate
CID 852442
methyl (2S)-2-(imidazole-1-carbonylamino)propanoate
CID 44306017

Frequently Asked Questions

What is the IUPAC name of methyl 2-(imidazole-1-carbonylamino)acetate?
The IUPAC name of methyl 2-(imidazole-1-carbonylamino)acetate (CID 33435318) is methyl 2-(imidazole-1-carbonylamino)acetate.
What is the SMILES notation for methyl 2-(imidazole-1-carbonylamino)acetate?
The canonical SMILES for methyl 2-(imidazole-1-carbonylamino)acetate is COC(=O)CNC(=O)n1ccnc1.
What is the InChIKey of methyl 2-(imidazole-1-carbonylamino)acetate?
The InChIKey is NFIMTWGTNSFCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-13-6(11)4-9-7(12)10-3-2-8-5-10/h2-3,5H,4H2,1H3,(H,9,12).
What are the key properties of methyl 2-(imidazole-1-carbonylamino)acetate?
methyl 2-(imidazole-1-carbonylamino)acetate has a molecular weight of 183.17 g/mol, XLogP of -0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(imidazole-1-carbonylamino)acetate is sourced from PubChem (CID 33435318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).