(3S)-4-ethyl-N-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]morpholine-3-carboxamide

C16H28N2O3 — CID 164636393

IUPAC(3S)-4-ethyl-N-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]morpholine-3-carboxamide
SMILESCCN1CCOC[C@H]1C(=O)NCC1(CO)CC2(CCC2)C1
InChIInChI=1S/C16H28N2O3/c1-2-18-6-7-21-8-13(18)14(20)17-11-16(12-19)9-15(10-16)4-3-5-15/h13,19H,2-12H2,1H3,(H,17,20)/t13-/m0/s1
InChIKeySAMUVJRKDVRGOX-ZDUSSCGKSA-N
MW296.41 g/mol
LogP0.77
Rot. Bonds5

About (3S)-4-ethyl-N-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]morpholine-3-carboxamide

(3S)-4-ethyl-N-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]morpholine-3-carboxamide (PubChem CID 164636393) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is (3S)-4-ethyl-N-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(3S)-4-ethyl-N-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]morpholine-3-carboxamide
PubChem CID164636393
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name(3S)-4-ethyl-N-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]morpholine-3-carboxamide
SMILESCCN1CCOC[C@H]1C(=O)NCC1(CO)CC2(CCC2)C1
InChIInChI=1S/C16H28N2O3/c1-2-18-6-7-21-8-13(18)14(20)17-11-16(12-19)9-15(10-16)4-3-5-15/h13,19H,2-12H2,1H3,(H,17,20)/t13-/m0/s1
InChIKeySAMUVJRKDVRGOX-ZDUSSCGKSA-N
XLogP0.77
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-ethyl-N-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]morpholine-3-carboxamide?
The IUPAC name of (3S)-4-ethyl-N-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]morpholine-3-carboxamide (CID 164636393) is (3S)-4-ethyl-N-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]morpholine-3-carboxamide.
What is the SMILES notation for (3S)-4-ethyl-N-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]morpholine-3-carboxamide?
The canonical SMILES for (3S)-4-ethyl-N-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]morpholine-3-carboxamide is CCN1CCOC[C@H]1C(=O)NCC1(CO)CC2(CCC2)C1.
What is the InChIKey of (3S)-4-ethyl-N-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]morpholine-3-carboxamide?
The InChIKey is SAMUVJRKDVRGOX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-2-18-6-7-21-8-13(18)14(20)17-11-16(12-19)9-15(10-16)4-3-5-15/h13,19H,2-12H2,1H3,(H,17,20)/t13-/m0/s1.
What are the key properties of (3S)-4-ethyl-N-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]morpholine-3-carboxamide?
(3S)-4-ethyl-N-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]morpholine-3-carboxamide has a molecular weight of 296.41 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-ethyl-N-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]morpholine-3-carboxamide is sourced from PubChem (CID 164636393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).