(2R,5S)-5-[3-(methoxycarbonylamino)pyrrolidine-1-carbonyl]oxolane-2-carboxylic acid

C12H18N2O6 — CID 102945634

IUPAC(2R,5S)-5-[3-(methoxycarbonylamino)pyrrolidine-1-carbonyl]oxolane-2-carboxylic acid
SMILESCOC(=O)NC1CCN(C(=O)[C@@H]2CC[C@H](C(=O)O)O2)C1
InChIInChI=1S/C12H18N2O6/c1-19-12(18)13-7-4-5-14(6-7)10(15)8-2-3-9(20-8)11(16)17/h7-9H,2-6H2,1H3,(H,13,18)(H,16,17)/t7?,8-,9+/m0/s1
InChIKeyAJEGEJQXDDXPHO-SXNZSPLWSA-N
MW286.28 g/mol
LogP-0.42
Rot. Bonds3

About (2R,5S)-5-[3-(methoxycarbonylamino)pyrrolidine-1-carbonyl]oxolane-2-carboxylic acid

(2R,5S)-5-[3-(methoxycarbonylamino)pyrrolidine-1-carbonyl]oxolane-2-carboxylic acid (PubChem CID 102945634) has the molecular formula C12H18N2O6 and a molecular weight of 286.28 g/mol. Its IUPAC name is (2R,5S)-5-[3-(methoxycarbonylamino)pyrrolidine-1-carbonyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-[3-(methoxycarbonylamino)pyrrolidine-1-carbonyl]oxolane-2-carboxylic acid
PubChem CID102945634
Molecular FormulaC12H18N2O6
Molecular Weight286.28 g/mol
Exact Mass286.12
IUPAC Name(2R,5S)-5-[3-(methoxycarbonylamino)pyrrolidine-1-carbonyl]oxolane-2-carboxylic acid
SMILESCOC(=O)NC1CCN(C(=O)[C@@H]2CC[C@H](C(=O)O)O2)C1
InChIInChI=1S/C12H18N2O6/c1-19-12(18)13-7-4-5-14(6-7)10(15)8-2-3-9(20-8)11(16)17/h7-9H,2-6H2,1H3,(H,13,18)(H,16,17)/t7?,8-,9+/m0/s1
InChIKeyAJEGEJQXDDXPHO-SXNZSPLWSA-N
XLogP-0.42
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-acetamidopyrrolidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102688903
5-(3-methoxycarbonylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102688728
5-(3-methylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102688295
(2R,5S)-5-[(3S)-3-hydroxypyrrolidine-1-carbonyl]oxolane-2-carboxylic acid
CID 107214293
5-(3,5-dimethylpiperidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102687444
[3-(methylamino)pyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone
CID 115300185
3-(methoxycarbonylamino)piperidine-1-carboxylic acid
CID 174735066
propan-2-yl 3-(methoxycarbonylamino)pyrrolidine-1-carboxylate
CID 116657633
(2R,5S)-5-[4-(2-methoxy-2-oxoethyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid
CID 102944960
5-[4-(2-methoxy-2-oxoethyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid
CID 102688229
methyl N-[(3S)-1-benzoylpyrrolidin-3-yl]carbamate
CID 124575994
(2R,5S)-5-(4-aminopiperidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102945045

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[3-(methoxycarbonylamino)pyrrolidine-1-carbonyl]oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-[3-(methoxycarbonylamino)pyrrolidine-1-carbonyl]oxolane-2-carboxylic acid (CID 102945634) is (2R,5S)-5-[3-(methoxycarbonylamino)pyrrolidine-1-carbonyl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-[3-(methoxycarbonylamino)pyrrolidine-1-carbonyl]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-[3-(methoxycarbonylamino)pyrrolidine-1-carbonyl]oxolane-2-carboxylic acid is COC(=O)NC1CCN(C(=O)[C@@H]2CC[C@H](C(=O)O)O2)C1.
What is the InChIKey of (2R,5S)-5-[3-(methoxycarbonylamino)pyrrolidine-1-carbonyl]oxolane-2-carboxylic acid?
The InChIKey is AJEGEJQXDDXPHO-SXNZSPLWSA-N. The full InChI is InChI=1S/C12H18N2O6/c1-19-12(18)13-7-4-5-14(6-7)10(15)8-2-3-9(20-8)11(16)17/h7-9H,2-6H2,1H3,(H,13,18)(H,16,17)/t7?,8-,9+/m0/s1.
What are the key properties of (2R,5S)-5-[3-(methoxycarbonylamino)pyrrolidine-1-carbonyl]oxolane-2-carboxylic acid?
(2R,5S)-5-[3-(methoxycarbonylamino)pyrrolidine-1-carbonyl]oxolane-2-carboxylic acid has a molecular weight of 286.28 g/mol, XLogP of -0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[3-(methoxycarbonylamino)pyrrolidine-1-carbonyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102945634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).