3-hydroxy-2-[[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]amino]propanoic acid

C10H16N4O4 — CID 55144045

IUPAC3-hydroxy-2-[[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]amino]propanoic acid
SMILESCN(Cc1nccn1C)C(=O)NC(CO)C(=O)O
InChIInChI=1S/C10H16N4O4/c1-13-4-3-11-8(13)5-14(2)10(18)12-7(6-15)9(16)17/h3-4,7,15H,5-6H2,1-2H3,(H,12,18)(H,16,17)
InChIKeyRAJPGKBGHBBYQU-UHFFFAOYSA-N
MW256.26 g/mol
LogP-0.99
Rot. Bonds5

About 3-hydroxy-2-[[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]amino]propanoic acid

3-hydroxy-2-[[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]amino]propanoic acid (PubChem CID 55144045) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 3-hydroxy-2-[[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]amino]propanoic acid
PubChem CID55144045
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Name3-hydroxy-2-[[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]amino]propanoic acid
SMILESCN(Cc1nccn1C)C(=O)NC(CO)C(=O)O
InChIInChI=1S/C10H16N4O4/c1-13-4-3-11-8(13)5-14(2)10(18)12-7(6-15)9(16)17/h3-4,7,15H,5-6H2,1-2H3,(H,12,18)(H,16,17)
InChIKeyRAJPGKBGHBBYQU-UHFFFAOYSA-N
XLogP-0.99
TPSA107.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-4-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]amino]pentanoic acid
CID 78923453
(2S)-4-methoxy-2-[[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]amino]-4-oxobutanoic acid
CID 63305347
(2S)-2-[[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 63026754
3-hydroxy-2-[[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]amino]butanoic acid
CID 63026905
2-chloro-N-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]propanamide
CID 63026922
2-[[benzyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 61183896
(2R)-3-hydroxy-2-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]propanoic acid
CID 80757816
2-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 107904600
(Z)-2,3-dimethyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-4-oxobut-2-enoic acid
CID 63270410
1-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide
CID 60962598
3-(3,4-dichlorophenyl)-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea
CID 71902046
2-[(1-methylimidazol-2-yl)methyl-propan-2-ylamino]acetic acid
CID 60840145

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]amino]propanoic acid?
The IUPAC name of 3-hydroxy-2-[[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]amino]propanoic acid (CID 55144045) is 3-hydroxy-2-[[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-hydroxy-2-[[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-hydroxy-2-[[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]amino]propanoic acid is CN(Cc1nccn1C)C(=O)NC(CO)C(=O)O.
What is the InChIKey of 3-hydroxy-2-[[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]amino]propanoic acid?
The InChIKey is RAJPGKBGHBBYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4/c1-13-4-3-11-8(13)5-14(2)10(18)12-7(6-15)9(16)17/h3-4,7,15H,5-6H2,1-2H3,(H,12,18)(H,16,17).
What are the key properties of 3-hydroxy-2-[[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]amino]propanoic acid?
3-hydroxy-2-[[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]amino]propanoic acid has a molecular weight of 256.26 g/mol, XLogP of -0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]amino]propanoic acid is sourced from PubChem (CID 55144045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).