(4S)-2-oxo-3-phenylmethoxycarbonylimidazolidine-4-carboxylic acid

C12H12N2O5 — CID 688196

IUPAC(4S)-2-oxo-3-phenylmethoxycarbonylimidazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CNC(=O)N1C(=O)OCc1ccccc1
InChIInChI=1S/C12H12N2O5/c15-10(16)9-6-13-11(17)14(9)12(18)19-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,17)(H,15,16)/t9-/m0/s1
InChIKeyAYSUEIZKNBGWGN-VIFPVBQESA-N
MW264.24 g/mol
LogP0.80
Rot. Bonds3

About (4S)-2-oxo-3-phenylmethoxycarbonylimidazolidine-4-carboxylic acid

(4S)-2-oxo-3-phenylmethoxycarbonylimidazolidine-4-carboxylic acid (PubChem CID 688196) has the molecular formula C12H12N2O5 and a molecular weight of 264.24 g/mol. Its IUPAC name is (4S)-2-oxo-3-phenylmethoxycarbonylimidazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-2-oxo-3-phenylmethoxycarbonylimidazolidine-4-carboxylic acid
PubChem CID688196
Molecular FormulaC12H12N2O5
Molecular Weight264.24 g/mol
Exact Mass264.07
IUPAC Name(4S)-2-oxo-3-phenylmethoxycarbonylimidazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CNC(=O)N1C(=O)OCc1ccccc1
InChIInChI=1S/C12H12N2O5/c15-10(16)9-6-13-11(17)14(9)12(18)19-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,17)(H,15,16)/t9-/m0/s1
InChIKeyAYSUEIZKNBGWGN-VIFPVBQESA-N
XLogP0.80
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(Benzyloxycarbonyl)aspartic acid
CID 2723942
N-carbobenzyloxyalanine
CID 736104
N-Cbz-d-alanine
CID 70832
(2R)-2-(((benzyloxy)carbonyl)amino)butanedioic acid
CID 5289152
Na-Z-L-2,3-diaminopropionic acid
CID 369330
Z-Dap-OH
CID 2756313
Benzylcarbonylglycyloxy-L-alanine
CID 99047
3-[[2-[(4S)-4-[3-(diaminomethylideneamino)propyl]-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid
CID 10050710
3-[[2-[(4S)-4-[4-(diaminomethylideneamino)butyl]-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid
CID 44296744
3-[[2-[(4S)-4-[3-(4,5-dihydro-1H-imidazol-2-ylamino)propyl]-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid
CID 44296762
N-((Benzyloxy)carbonyl)aspartic acid
CID 70855
N-(Benzyloxycarbonyl)-DL-alanine
CID 95657

Frequently Asked Questions

What is the IUPAC name of (4S)-2-oxo-3-phenylmethoxycarbonylimidazolidine-4-carboxylic acid?
The IUPAC name of (4S)-2-oxo-3-phenylmethoxycarbonylimidazolidine-4-carboxylic acid (CID 688196) is (4S)-2-oxo-3-phenylmethoxycarbonylimidazolidine-4-carboxylic acid.
What is the SMILES notation for (4S)-2-oxo-3-phenylmethoxycarbonylimidazolidine-4-carboxylic acid?
The canonical SMILES for (4S)-2-oxo-3-phenylmethoxycarbonylimidazolidine-4-carboxylic acid is O=C(O)[C@@H]1CNC(=O)N1C(=O)OCc1ccccc1.
What is the InChIKey of (4S)-2-oxo-3-phenylmethoxycarbonylimidazolidine-4-carboxylic acid?
The InChIKey is AYSUEIZKNBGWGN-VIFPVBQESA-N. The full InChI is InChI=1S/C12H12N2O5/c15-10(16)9-6-13-11(17)14(9)12(18)19-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,17)(H,15,16)/t9-/m0/s1.
What are the key properties of (4S)-2-oxo-3-phenylmethoxycarbonylimidazolidine-4-carboxylic acid?
(4S)-2-oxo-3-phenylmethoxycarbonylimidazolidine-4-carboxylic acid has a molecular weight of 264.24 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-oxo-3-phenylmethoxycarbonylimidazolidine-4-carboxylic acid is sourced from PubChem (CID 688196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).