(2R,5S)-5-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]oxolane-2-carboxylic acid

C14H24N2O4 — CID 102945243

IUPAC(2R,5S)-5-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]oxolane-2-carboxylic acid
SMILESCN1CCC(CN(C)C(=O)[C@@H]2CC[C@H](C(=O)O)O2)CC1
InChIInChI=1S/C14H24N2O4/c1-15-7-5-10(6-8-15)9-16(2)13(17)11-3-4-12(20-11)14(18)19/h10-12H,3-9H2,1-2H3,(H,18,19)/t11-,12+/m0/s1
InChIKeyWBGJLSPWKJVSGA-NWDGAFQWSA-N
MW284.36 g/mol
LogP0.42
Rot. Bonds4

About (2R,5S)-5-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]oxolane-2-carboxylic acid

(2R,5S)-5-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102945243) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is (2R,5S)-5-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]oxolane-2-carboxylic acid
PubChem CID102945243
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name(2R,5S)-5-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]oxolane-2-carboxylic acid
SMILESCN1CCC(CN(C)C(=O)[C@@H]2CC[C@H](C(=O)O)O2)CC1
InChIInChI=1S/C14H24N2O4/c1-15-7-5-10(6-8-15)9-16(2)13(17)11-3-4-12(20-11)14(18)19/h10-12H,3-9H2,1-2H3,(H,18,19)/t11-,12+/m0/s1
InChIKeyWBGJLSPWKJVSGA-NWDGAFQWSA-N
XLogP0.42
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,5S)-5-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]oxolane-2-carboxylic acid
CID 102945282
(2R,5S)-5-[(1-methylpiperidin-4-yl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 102945114
(2R,5S)-5-[methyl(2-methylprop-2-enyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945722
4-methyl-1-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 63721852
(2R,5S)-5-[methyl-[2-(methylamino)ethyl]carbamoyl]oxolane-2-carboxylic acid
CID 102945300
N,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-2-carboxamide
CID 115178047
3-amino-1-methyl-1-[(1-methylpiperidin-4-yl)methyl]urea
CID 115192849
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperidine-2-carboxamide
CID 55174038
2-methoxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]acetamide
CID 63297553
1-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]piperidine-2-carboxylic acid
CID 63234842
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 63234484
3-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-4-oxobutanoic acid
CID 115164651

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]oxolane-2-carboxylic acid (CID 102945243) is (2R,5S)-5-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]oxolane-2-carboxylic acid is CN1CCC(CN(C)C(=O)[C@@H]2CC[C@H](C(=O)O)O2)CC1.
What is the InChIKey of (2R,5S)-5-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is WBGJLSPWKJVSGA-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-15-7-5-10(6-8-15)9-16(2)13(17)11-3-4-12(20-11)14(18)19/h10-12H,3-9H2,1-2H3,(H,18,19)/t11-,12+/m0/s1.
What are the key properties of (2R,5S)-5-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]oxolane-2-carboxylic acid?
(2R,5S)-5-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102945243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).