(1S)-N-[(2S)-2,3-dihydroxypropyl]-N,2,2-trimethylcyclopropane-1-carboxamide

C10H19NO3 — CID 136580888

IUPAC(1S)-N-[(2S)-2,3-dihydroxypropyl]-N,2,2-trimethylcyclopropane-1-carboxamide
SMILESCN(C[C@H](O)CO)C(=O)[C@H]1CC1(C)C
InChIInChI=1S/C10H19NO3/c1-10(2)4-8(10)9(14)11(3)5-7(13)6-12/h7-8,12-13H,4-6H2,1-3H3/t7-,8+/m0/s1
InChIKeyJIYCTFOVTASZJL-JGVFFNPUSA-N
MW201.27 g/mol
LogP-0.16
Rot. Bonds4

About (1S)-N-[(2S)-2,3-dihydroxypropyl]-N,2,2-trimethylcyclopropane-1-carboxamide

(1S)-N-[(2S)-2,3-dihydroxypropyl]-N,2,2-trimethylcyclopropane-1-carboxamide (PubChem CID 136580888) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is (1S)-N-[(2S)-2,3-dihydroxypropyl]-N,2,2-trimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-[(2S)-2,3-dihydroxypropyl]-N,2,2-trimethylcyclopropane-1-carboxamide
PubChem CID136580888
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name(1S)-N-[(2S)-2,3-dihydroxypropyl]-N,2,2-trimethylcyclopropane-1-carboxamide
SMILESCN(C[C@H](O)CO)C(=O)[C@H]1CC1(C)C
InChIInChI=1S/C10H19NO3/c1-10(2)4-8(10)9(14)11(3)5-7(13)6-12/h7-8,12-13H,4-6H2,1-3H3/t7-,8+/m0/s1
InChIKeyJIYCTFOVTASZJL-JGVFFNPUSA-N
XLogP-0.16
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(2S)-2,3-dihydroxypropyl]-N,2,2-trimethylcyclopropane-1-carboxamide?
The IUPAC name of (1S)-N-[(2S)-2,3-dihydroxypropyl]-N,2,2-trimethylcyclopropane-1-carboxamide (CID 136580888) is (1S)-N-[(2S)-2,3-dihydroxypropyl]-N,2,2-trimethylcyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-N-[(2S)-2,3-dihydroxypropyl]-N,2,2-trimethylcyclopropane-1-carboxamide?
The canonical SMILES for (1S)-N-[(2S)-2,3-dihydroxypropyl]-N,2,2-trimethylcyclopropane-1-carboxamide is CN(C[C@H](O)CO)C(=O)[C@H]1CC1(C)C.
What is the InChIKey of (1S)-N-[(2S)-2,3-dihydroxypropyl]-N,2,2-trimethylcyclopropane-1-carboxamide?
The InChIKey is JIYCTFOVTASZJL-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H19NO3/c1-10(2)4-8(10)9(14)11(3)5-7(13)6-12/h7-8,12-13H,4-6H2,1-3H3/t7-,8+/m0/s1.
What are the key properties of (1S)-N-[(2S)-2,3-dihydroxypropyl]-N,2,2-trimethylcyclopropane-1-carboxamide?
(1S)-N-[(2S)-2,3-dihydroxypropyl]-N,2,2-trimethylcyclopropane-1-carboxamide has a molecular weight of 201.27 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(2S)-2,3-dihydroxypropyl]-N,2,2-trimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 136580888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).