[(2S)-1-oxo-1-[1-(phenylmethoxymethyl)imidazol-2-yl]propan-2-yl]carbamic acid

C15H17N3O4 — CID 68588264

IUPAC[(2S)-1-oxo-1-[1-(phenylmethoxymethyl)imidazol-2-yl]propan-2-yl]carbamic acid
SMILESC[C@H](NC(=O)O)C(=O)c1nccn1COCc1ccccc1
InChIInChI=1S/C15H17N3O4/c1-11(17-15(20)21)13(19)14-16-7-8-18(14)10-22-9-12-5-3-2-4-6-12/h2-8,11,17H,9-10H2,1H3,(H,20,21)/t11-/m0/s1
InChIKeyYBPCPMFTJGJWMC-NSHDSACASA-N
MW303.32 g/mol
LogP1.90
Rot. Bonds7

About [(2S)-1-oxo-1-[1-(phenylmethoxymethyl)imidazol-2-yl]propan-2-yl]carbamic acid

[(2S)-1-oxo-1-[1-(phenylmethoxymethyl)imidazol-2-yl]propan-2-yl]carbamic acid (PubChem CID 68588264) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is [(2S)-1-oxo-1-[1-(phenylmethoxymethyl)imidazol-2-yl]propan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S)-1-oxo-1-[1-(phenylmethoxymethyl)imidazol-2-yl]propan-2-yl]carbamic acid
PubChem CID68588264
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name[(2S)-1-oxo-1-[1-(phenylmethoxymethyl)imidazol-2-yl]propan-2-yl]carbamic acid
SMILESC[C@H](NC(=O)O)C(=O)c1nccn1COCc1ccccc1
InChIInChI=1S/C15H17N3O4/c1-11(17-15(20)21)13(19)14-16-7-8-18(14)10-22-9-12-5-3-2-4-6-12/h2-8,11,17H,9-10H2,1H3,(H,20,21)/t11-/m0/s1
InChIKeyYBPCPMFTJGJWMC-NSHDSACASA-N
XLogP1.90
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(1S)-2-methyl-1-[1-(phenylmethoxymethyl)imidazol-2-yl]propyl]carbamate
CID 57222911
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1-(phenylmethoxymethyl)-3-propan-2-ylimidazol-2-one
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benzyl 1-ethylimidazole-2-carboxylate tetrafluoroborate
CID 21251925
2-[1-(phenylmethoxymethyl)imidazol-2-yl]ethanamine
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benzyl N-[1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl]carbamate
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benzyl N-(1-oxo-1-pyridin-3-ylpropan-2-yl)carbamate
CID 156757915
[5-nitro-3-(phenylmethoxymethyl)imidazol-4-yl]methyl (2S)-2-acetamidopropanoate
CID 101182581
benzyl N-[(2S)-3-oxobutan-2-yl]carbamate
CID 59895800
benzyl N-(3-oxobutan-2-yl)carbamate
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N-methyl-1-[1-(phenylmethoxymethyl)pyrrol-2-yl]ethanamine
CID 102940127
phenyl-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanone
CID 174251990

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-[1-(phenylmethoxymethyl)imidazol-2-yl]propan-2-yl]carbamic acid?
The IUPAC name of [(2S)-1-oxo-1-[1-(phenylmethoxymethyl)imidazol-2-yl]propan-2-yl]carbamic acid (CID 68588264) is [(2S)-1-oxo-1-[1-(phenylmethoxymethyl)imidazol-2-yl]propan-2-yl]carbamic acid.
What is the SMILES notation for [(2S)-1-oxo-1-[1-(phenylmethoxymethyl)imidazol-2-yl]propan-2-yl]carbamic acid?
The canonical SMILES for [(2S)-1-oxo-1-[1-(phenylmethoxymethyl)imidazol-2-yl]propan-2-yl]carbamic acid is C[C@H](NC(=O)O)C(=O)c1nccn1COCc1ccccc1.
What is the InChIKey of [(2S)-1-oxo-1-[1-(phenylmethoxymethyl)imidazol-2-yl]propan-2-yl]carbamic acid?
The InChIKey is YBPCPMFTJGJWMC-NSHDSACASA-N. The full InChI is InChI=1S/C15H17N3O4/c1-11(17-15(20)21)13(19)14-16-7-8-18(14)10-22-9-12-5-3-2-4-6-12/h2-8,11,17H,9-10H2,1H3,(H,20,21)/t11-/m0/s1.
What are the key properties of [(2S)-1-oxo-1-[1-(phenylmethoxymethyl)imidazol-2-yl]propan-2-yl]carbamic acid?
[(2S)-1-oxo-1-[1-(phenylmethoxymethyl)imidazol-2-yl]propan-2-yl]carbamic acid has a molecular weight of 303.32 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-[1-(phenylmethoxymethyl)imidazol-2-yl]propan-2-yl]carbamic acid is sourced from PubChem (CID 68588264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).