3-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]-2-methoxypropanoic acid

C10H16N4O4 — CID 114144716

IUPAC3-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)N(C)Cc1ncc[nH]1)C(=O)O
InChIInChI=1S/C10H16N4O4/c1-14(6-8-11-3-4-12-8)10(17)13-5-7(18-2)9(15)16/h3-4,7H,5-6H2,1-2H3,(H,11,12)(H,13,17)(H,15,16)
InChIKeyUMZLFPAVNBCQKR-UHFFFAOYSA-N
MW256.26 g/mol
LogP-0.35
Rot. Bonds6

About 3-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]-2-methoxypropanoic acid

3-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]-2-methoxypropanoic acid (PubChem CID 114144716) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 3-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]-2-methoxypropanoic acid
PubChem CID114144716
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Name3-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)N(C)Cc1ncc[nH]1)C(=O)O
InChIInChI=1S/C10H16N4O4/c1-14(6-8-11-3-4-12-8)10(17)13-5-7(18-2)9(15)16/h3-4,7H,5-6H2,1-2H3,(H,11,12)(H,13,17)(H,15,16)
InChIKeyUMZLFPAVNBCQKR-UHFFFAOYSA-N
XLogP-0.35
TPSA107.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-2-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]-3-methylpentanoic acid
CID 64518696
(2R)-2-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107828053
2-methoxy-3-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]propanoic acid
CID 114144603
3-[[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]amino]-2-methoxypropanoic acid
CID 106109943
2-methoxy-3-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid
CID 106109727
1-[[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436956
N-(1H-imidazol-2-ylmethyl)-N,2-dimethylpropanamide
CID 63929546
3-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]-2-methoxypropanoic acid
CID 114144624
4-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]benzoic acid
CID 64519669
1-(1H-imidazol-2-ylmethyl)-1-methyl-3-[(1R)-1-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 126434509
3-[(2R)-heptan-2-yl]-1-(1H-imidazol-2-ylmethyl)-1-methylurea
CID 122570121
2-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide
CID 64511881

Frequently Asked Questions

What is the IUPAC name of 3-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]-2-methoxypropanoic acid?
The IUPAC name of 3-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]-2-methoxypropanoic acid (CID 114144716) is 3-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]-2-methoxypropanoic acid?
The canonical SMILES for 3-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]-2-methoxypropanoic acid is COC(CNC(=O)N(C)Cc1ncc[nH]1)C(=O)O.
What is the InChIKey of 3-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]-2-methoxypropanoic acid?
The InChIKey is UMZLFPAVNBCQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4/c1-14(6-8-11-3-4-12-8)10(17)13-5-7(18-2)9(15)16/h3-4,7H,5-6H2,1-2H3,(H,11,12)(H,13,17)(H,15,16).
What are the key properties of 3-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]-2-methoxypropanoic acid?
3-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]-2-methoxypropanoic acid has a molecular weight of 256.26 g/mol, XLogP of -0.35, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]-2-methoxypropanoic acid is sourced from PubChem (CID 114144716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).