(3R,4R)-4-(phenylmethoxycarbonylamino)oxolane-3-carboxylic acid

C13H15NO5 — CID 175653873

IUPAC(3R,4R)-4-(phenylmethoxycarbonylamino)oxolane-3-carboxylic acid
SMILESO=C(N[C@H]1COC[C@@H]1C(=O)O)OCc1ccccc1
InChIInChI=1S/C13H15NO5/c15-12(16)10-7-18-8-11(10)14-13(17)19-6-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,14,17)(H,15,16)/t10-,11-/m0/s1
InChIKeyRHLUXJALAGZIJC-QWRGUYRKSA-N
MW265.26 g/mol
LogP1.01
Rot. Bonds4

About (3R,4R)-4-(phenylmethoxycarbonylamino)oxolane-3-carboxylic acid

(3R,4R)-4-(phenylmethoxycarbonylamino)oxolane-3-carboxylic acid (PubChem CID 175653873) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is (3R,4R)-4-(phenylmethoxycarbonylamino)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-4-(phenylmethoxycarbonylamino)oxolane-3-carboxylic acid
PubChem CID175653873
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name(3R,4R)-4-(phenylmethoxycarbonylamino)oxolane-3-carboxylic acid
SMILESO=C(N[C@H]1COC[C@@H]1C(=O)O)OCc1ccccc1
InChIInChI=1S/C13H15NO5/c15-12(16)10-7-18-8-11(10)14-13(17)19-6-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,14,17)(H,15,16)/t10-,11-/m0/s1
InChIKeyRHLUXJALAGZIJC-QWRGUYRKSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate
CID 121451593
benzyl N-[4-(2-bromoacetyl)oxolan-3-yl]carbamate
CID 104701494
benzyl N-(4-hydroxyoxolan-3-yl)carbamate;hydrochloride
CID 133063697
benzyl N-[(3R,4R)-4-bromooxolan-3-yl]carbamate
CID 140651017
benzyl N-[(3S,4S)-3-methyloxan-4-yl]carbamate
CID 59735018
benzyl N-(2-hydroxycyclopropyl)carbamate
CID 69099067
benzyl N-(1,4-dioxepan-6-yl)carbamate
CID 131219269
benzyl N-[(1S,2R,4S,5S)-4,5-dihydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 70892702
(1S,6S)-6-(phenylmethoxycarbonylamino)cyclohex-3-ene-1-carboxylic acid
CID 7157276
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
4-[[(2S)-2-amino-3-phenylpropanoyl]amino]oxolane-3-carboxylic acid
CID 66238523
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(phenylmethoxycarbonylamino)oxolane-3-carboxylic acid?
The IUPAC name of (3R,4R)-4-(phenylmethoxycarbonylamino)oxolane-3-carboxylic acid (CID 175653873) is (3R,4R)-4-(phenylmethoxycarbonylamino)oxolane-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-4-(phenylmethoxycarbonylamino)oxolane-3-carboxylic acid?
The canonical SMILES for (3R,4R)-4-(phenylmethoxycarbonylamino)oxolane-3-carboxylic acid is O=C(N[C@H]1COC[C@@H]1C(=O)O)OCc1ccccc1.
What is the InChIKey of (3R,4R)-4-(phenylmethoxycarbonylamino)oxolane-3-carboxylic acid?
The InChIKey is RHLUXJALAGZIJC-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H15NO5/c15-12(16)10-7-18-8-11(10)14-13(17)19-6-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,14,17)(H,15,16)/t10-,11-/m0/s1.
What are the key properties of (3R,4R)-4-(phenylmethoxycarbonylamino)oxolane-3-carboxylic acid?
(3R,4R)-4-(phenylmethoxycarbonylamino)oxolane-3-carboxylic acid has a molecular weight of 265.26 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(phenylmethoxycarbonylamino)oxolane-3-carboxylic acid is sourced from PubChem (CID 175653873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).