(2S,4S)-4-(phenylmethoxycarbonylamino)oxolane-2-carboxylic acid

C13H15NO5 — CID 166000781

IUPAC(2S,4S)-4-(phenylmethoxycarbonylamino)oxolane-2-carboxylic acid
SMILESO=C(N[C@@H]1CO[C@H](C(=O)O)C1)OCc1ccccc1
InChIInChI=1S/C13H15NO5/c15-12(16)11-6-10(8-18-11)14-13(17)19-7-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,14,17)(H,15,16)/t10-,11-/m0/s1
InChIKeyHMILCNBQLAMEKT-QWRGUYRKSA-N
MW265.26 g/mol
LogP1.15
Rot. Bonds4

About (2S,4S)-4-(phenylmethoxycarbonylamino)oxolane-2-carboxylic acid

(2S,4S)-4-(phenylmethoxycarbonylamino)oxolane-2-carboxylic acid (PubChem CID 166000781) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is (2S,4S)-4-(phenylmethoxycarbonylamino)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-(phenylmethoxycarbonylamino)oxolane-2-carboxylic acid
PubChem CID166000781
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name(2S,4S)-4-(phenylmethoxycarbonylamino)oxolane-2-carboxylic acid
SMILESO=C(N[C@@H]1CO[C@H](C(=O)O)C1)OCc1ccccc1
InChIInChI=1S/C13H15NO5/c15-12(16)11-6-10(8-18-11)14-13(17)19-7-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,14,17)(H,15,16)/t10-,11-/m0/s1
InChIKeyHMILCNBQLAMEKT-QWRGUYRKSA-N
XLogP1.15
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate;benzyl N-[(1R,3S)-3-hydroxycyclopentyl]carbamate
CID 138958096
benzyl N-(1,4-dioxepan-6-yl)carbamate
CID 131219269
benzyl N-(3-aminocyclobutyl)carbamate;hydrochloride
CID 122164408
benzyl N-(3-iodocyclobutyl)carbamate
CID 177035256
benzyl N-cyclopent-3-en-1-ylcarbamate
CID 10751243
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
benzyl N-[(3R,6S)-6-[ethyl(methyl)carbamoyl]oxan-3-yl]carbamate
CID 70913909
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
benzyl N-[(3R,6S)-6-[[(2-phenylmethoxyacetyl)amino]carbamoyl]oxan-3-yl]carbamate
CID 167005611
benzyl N-(2-hydroxycyclopropyl)carbamate
CID 69099067
benzyl N-[(2S,3R)-2-(bromomethyl)oxetan-3-yl]carbamate
CID 86730957

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-(phenylmethoxycarbonylamino)oxolane-2-carboxylic acid?
The IUPAC name of (2S,4S)-4-(phenylmethoxycarbonylamino)oxolane-2-carboxylic acid (CID 166000781) is (2S,4S)-4-(phenylmethoxycarbonylamino)oxolane-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-4-(phenylmethoxycarbonylamino)oxolane-2-carboxylic acid?
The canonical SMILES for (2S,4S)-4-(phenylmethoxycarbonylamino)oxolane-2-carboxylic acid is O=C(N[C@@H]1CO[C@H](C(=O)O)C1)OCc1ccccc1.
What is the InChIKey of (2S,4S)-4-(phenylmethoxycarbonylamino)oxolane-2-carboxylic acid?
The InChIKey is HMILCNBQLAMEKT-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H15NO5/c15-12(16)11-6-10(8-18-11)14-13(17)19-7-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,14,17)(H,15,16)/t10-,11-/m0/s1.
What are the key properties of (2S,4S)-4-(phenylmethoxycarbonylamino)oxolane-2-carboxylic acid?
(2S,4S)-4-(phenylmethoxycarbonylamino)oxolane-2-carboxylic acid has a molecular weight of 265.26 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-(phenylmethoxycarbonylamino)oxolane-2-carboxylic acid is sourced from PubChem (CID 166000781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).