1H-imidazol-2-ylmethyl (2S)-2-hydroxypropanoate

C7H10N2O3 — CID 129322465

IUPAC1H-imidazol-2-ylmethyl (2S)-2-hydroxypropanoate
SMILESC[C@H](O)C(=O)OCc1ncc[nH]1
InChIInChI=1S/C7H10N2O3/c1-5(10)7(11)12-4-6-8-2-3-9-6/h2-3,5,10H,4H2,1H3,(H,8,9)/t5-/m0/s1
InChIKeyHDFGJHSKCCNNIN-YFKPBYRVSA-N
MW170.17 g/mol
LogP-0.17
Rot. Bonds3

About 1H-imidazol-2-ylmethyl (2S)-2-hydroxypropanoate

1H-imidazol-2-ylmethyl (2S)-2-hydroxypropanoate (PubChem CID 129322465) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 1H-imidazol-2-ylmethyl (2S)-2-hydroxypropanoate.

Molecular Properties

Compound Name1H-imidazol-2-ylmethyl (2S)-2-hydroxypropanoate
PubChem CID129322465
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name1H-imidazol-2-ylmethyl (2S)-2-hydroxypropanoate
SMILESC[C@H](O)C(=O)OCc1ncc[nH]1
InChIInChI=1S/C7H10N2O3/c1-5(10)7(11)12-4-6-8-2-3-9-6/h2-3,5,10H,4H2,1H3,(H,8,9)/t5-/m0/s1
InChIKeyHDFGJHSKCCNNIN-YFKPBYRVSA-N
XLogP-0.17
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1H-imidazol-2-ylmethyl (2S)-2-hydroxypropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H-imidazol-2-ylmethyl carbamate
CID 23172617
1H-imidazol-2-ylmethyl 2,2-dimethylpropanoate
CID 54274629
2-(1-bromoethoxymethyl)-1H-imidazole
CID 141093842
2-(1H-imidazol-2-ylmethoxy)acetic acid
CID 19766370
2-methylpropyl N-(1H-imidazol-2-ylmethyl)carbamate
CID 64531064
ethyl 2-amino-3-(1H-imidazol-2-yl)propanoate
CID 18604488
propan-2-yl N-(1H-imidazol-2-ylmethyl)carbamate
CID 64530068
2-(sulfanyloxymethyl)-1H-imidazole
CID 170244271
1-(1H-imidazol-2-yl)propan-2-ylcarbamic acid
CID 68743487
N-(1H-imidazol-2-ylmethyl)-N,2-dimethylpropanamide
CID 63929546
hydron;1H-imidazol-2-ylmethanamine;dichloride
CID 44828734
N-(1H-imidazol-2-ylmethyl)-2-propan-2-yloxyacetamide
CID 112691042

Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-2-ylmethyl (2S)-2-hydroxypropanoate?
The IUPAC name of 1H-imidazol-2-ylmethyl (2S)-2-hydroxypropanoate (CID 129322465) is 1H-imidazol-2-ylmethyl (2S)-2-hydroxypropanoate.
What is the SMILES notation for 1H-imidazol-2-ylmethyl (2S)-2-hydroxypropanoate?
The canonical SMILES for 1H-imidazol-2-ylmethyl (2S)-2-hydroxypropanoate is C[C@H](O)C(=O)OCc1ncc[nH]1.
What is the InChIKey of 1H-imidazol-2-ylmethyl (2S)-2-hydroxypropanoate?
The InChIKey is HDFGJHSKCCNNIN-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-5(10)7(11)12-4-6-8-2-3-9-6/h2-3,5,10H,4H2,1H3,(H,8,9)/t5-/m0/s1.
What are the key properties of 1H-imidazol-2-ylmethyl (2S)-2-hydroxypropanoate?
1H-imidazol-2-ylmethyl (2S)-2-hydroxypropanoate has a molecular weight of 170.17 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-2-ylmethyl (2S)-2-hydroxypropanoate is sourced from PubChem (CID 129322465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).