(2S,5R)-5-(aminomethyl)-N-[(1-propan-2-ylcyclopropyl)methyl]oxolane-2-carboxamide

C13H24N2O2 — CID 120794756

IUPAC(2S,5R)-5-(aminomethyl)-N-[(1-propan-2-ylcyclopropyl)methyl]oxolane-2-carboxamide
SMILESCC(C)C1(CNC(=O)[C@@H]2CC[C@H](CN)O2)CC1
InChIInChI=1S/C13H24N2O2/c1-9(2)13(5-6-13)8-15-12(16)11-4-3-10(7-14)17-11/h9-11H,3-8,14H2,1-2H3,(H,15,16)/t10-,11+/m1/s1
InChIKeyQUGMQMDRNRBWRL-MNOVXSKESA-N
MW240.35 g/mol
LogP1.05
Rot. Bonds5

About (2S,5R)-5-(aminomethyl)-N-[(1-propan-2-ylcyclopropyl)methyl]oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-[(1-propan-2-ylcyclopropyl)methyl]oxolane-2-carboxamide (PubChem CID 120794756) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[(1-propan-2-ylcyclopropyl)methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[(1-propan-2-ylcyclopropyl)methyl]oxolane-2-carboxamide
PubChem CID120794756
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[(1-propan-2-ylcyclopropyl)methyl]oxolane-2-carboxamide
SMILESCC(C)C1(CNC(=O)[C@@H]2CC[C@H](CN)O2)CC1
InChIInChI=1S/C13H24N2O2/c1-9(2)13(5-6-13)8-15-12(16)11-4-3-10(7-14)17-11/h9-11H,3-8,14H2,1-2H3,(H,15,16)/t10-,11+/m1/s1
InChIKeyQUGMQMDRNRBWRL-MNOVXSKESA-N
XLogP1.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[(1-propan-2-ylcyclopropyl)methyl]oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[(1-propan-2-ylcyclopropyl)methyl]oxolane-2-carboxamide (CID 120794756) is (2S,5R)-5-(aminomethyl)-N-[(1-propan-2-ylcyclopropyl)methyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[(1-propan-2-ylcyclopropyl)methyl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[(1-propan-2-ylcyclopropyl)methyl]oxolane-2-carboxamide is CC(C)C1(CNC(=O)[C@@H]2CC[C@H](CN)O2)CC1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[(1-propan-2-ylcyclopropyl)methyl]oxolane-2-carboxamide?
The InChIKey is QUGMQMDRNRBWRL-MNOVXSKESA-N. The full InChI is InChI=1S/C13H24N2O2/c1-9(2)13(5-6-13)8-15-12(16)11-4-3-10(7-14)17-11/h9-11H,3-8,14H2,1-2H3,(H,15,16)/t10-,11+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[(1-propan-2-ylcyclopropyl)methyl]oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[(1-propan-2-ylcyclopropyl)methyl]oxolane-2-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[(1-propan-2-ylcyclopropyl)methyl]oxolane-2-carboxamide is sourced from PubChem (CID 120794756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).