(2S,5R)-5-(aminomethyl)-N-[1-(3,5-dimethylphenyl)propan-2-yl]oxolane-2-carboxamide

C17H26N2O2 — CID 120795188

IUPAC(2S,5R)-5-(aminomethyl)-N-[1-(3,5-dimethylphenyl)propan-2-yl]oxolane-2-carboxamide
SMILESCc1cc(C)cc(CC(C)NC(=O)[C@@H]2CC[C@H](CN)O2)c1
InChIInChI=1S/C17H26N2O2/c1-11-6-12(2)8-14(7-11)9-13(3)19-17(20)16-5-4-15(10-18)21-16/h6-8,13,15-16H,4-5,9-10,18H2,1-3H3,(H,19,20)/t13?,15-,16+/m1/s1
InChIKeySZCIMVODCBOSKS-CZVYVAOFSA-N
MW290.41 g/mol
LogP1.86
Rot. Bonds5

About (2S,5R)-5-(aminomethyl)-N-[1-(3,5-dimethylphenyl)propan-2-yl]oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-[1-(3,5-dimethylphenyl)propan-2-yl]oxolane-2-carboxamide (PubChem CID 120795188) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[1-(3,5-dimethylphenyl)propan-2-yl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[1-(3,5-dimethylphenyl)propan-2-yl]oxolane-2-carboxamide
PubChem CID120795188
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[1-(3,5-dimethylphenyl)propan-2-yl]oxolane-2-carboxamide
SMILESCc1cc(C)cc(CC(C)NC(=O)[C@@H]2CC[C@H](CN)O2)c1
InChIInChI=1S/C17H26N2O2/c1-11-6-12(2)8-14(7-11)9-13(3)19-17(20)16-5-4-15(10-18)21-16/h6-8,13,15-16H,4-5,9-10,18H2,1-3H3,(H,19,20)/t13?,15-,16+/m1/s1
InChIKeySZCIMVODCBOSKS-CZVYVAOFSA-N
XLogP1.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.86
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-(3,5-dimethylphenyl)propan-2-yl]oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[1-(3,5-dimethylphenyl)propan-2-yl]oxolane-2-carboxamide (CID 120795188) is (2S,5R)-5-(aminomethyl)-N-[1-(3,5-dimethylphenyl)propan-2-yl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[1-(3,5-dimethylphenyl)propan-2-yl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[1-(3,5-dimethylphenyl)propan-2-yl]oxolane-2-carboxamide is Cc1cc(C)cc(CC(C)NC(=O)[C@@H]2CC[C@H](CN)O2)c1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[1-(3,5-dimethylphenyl)propan-2-yl]oxolane-2-carboxamide?
The InChIKey is SZCIMVODCBOSKS-CZVYVAOFSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-11-6-12(2)8-14(7-11)9-13(3)19-17(20)16-5-4-15(10-18)21-16/h6-8,13,15-16H,4-5,9-10,18H2,1-3H3,(H,19,20)/t13?,15-,16+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[1-(3,5-dimethylphenyl)propan-2-yl]oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[1-(3,5-dimethylphenyl)propan-2-yl]oxolane-2-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 1.86, 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-(3,5-dimethylphenyl)propan-2-yl]oxolane-2-carboxamide is sourced from PubChem (CID 120795188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).