(2S,3S)-N-[1-(3-cyclobutylbenzoyl)azetidin-3-yl]-2-(dimethylamino)-3-hydroxybutanamide

C20H29N3O3 — CID 167827476

IUPAC(2S,3S)-N-[1-(3-cyclobutylbenzoyl)azetidin-3-yl]-2-(dimethylamino)-3-hydroxybutanamide
SMILESC[C@H](O)[C@@H](C(=O)NC1CN(C(=O)c2cccc(C3CCC3)c2)C1)N(C)C
InChIInChI=1S/C20H29N3O3/c1-13(24)18(22(2)3)19(25)21-17-11-23(12-17)20(26)16-9-5-8-15(10-16)14-6-4-7-14/h5,8-10,13-14,17-18,24H,4,6-7,11-12H2,1-3H3,(H,21,25)/t13-,18-/m0/s1
InChIKeyDYCKXLWRRCDCTQ-UGSOOPFHSA-N
MW359.47 g/mol
LogP1.21
Rot. Bonds6

About (2S,3S)-N-[1-(3-cyclobutylbenzoyl)azetidin-3-yl]-2-(dimethylamino)-3-hydroxybutanamide

(2S,3S)-N-[1-(3-cyclobutylbenzoyl)azetidin-3-yl]-2-(dimethylamino)-3-hydroxybutanamide (PubChem CID 167827476) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is (2S,3S)-N-[1-(3-cyclobutylbenzoyl)azetidin-3-yl]-2-(dimethylamino)-3-hydroxybutanamide.

Molecular Properties

Compound Name(2S,3S)-N-[1-(3-cyclobutylbenzoyl)azetidin-3-yl]-2-(dimethylamino)-3-hydroxybutanamide
PubChem CID167827476
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name(2S,3S)-N-[1-(3-cyclobutylbenzoyl)azetidin-3-yl]-2-(dimethylamino)-3-hydroxybutanamide
SMILESC[C@H](O)[C@@H](C(=O)NC1CN(C(=O)c2cccc(C3CCC3)c2)C1)N(C)C
InChIInChI=1S/C20H29N3O3/c1-13(24)18(22(2)3)19(25)21-17-11-23(12-17)20(26)16-9-5-8-15(10-16)14-6-4-7-14/h5,8-10,13-14,17-18,24H,4,6-7,11-12H2,1-3H3,(H,21,25)/t13-,18-/m0/s1
InChIKeyDYCKXLWRRCDCTQ-UGSOOPFHSA-N
XLogP1.21
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-[1-(3-cyclobutylbenzoyl)azetidin-3-yl]-2-(dimethylamino)-3-hydroxybutanamide?
The IUPAC name of (2S,3S)-N-[1-(3-cyclobutylbenzoyl)azetidin-3-yl]-2-(dimethylamino)-3-hydroxybutanamide (CID 167827476) is (2S,3S)-N-[1-(3-cyclobutylbenzoyl)azetidin-3-yl]-2-(dimethylamino)-3-hydroxybutanamide.
What is the SMILES notation for (2S,3S)-N-[1-(3-cyclobutylbenzoyl)azetidin-3-yl]-2-(dimethylamino)-3-hydroxybutanamide?
The canonical SMILES for (2S,3S)-N-[1-(3-cyclobutylbenzoyl)azetidin-3-yl]-2-(dimethylamino)-3-hydroxybutanamide is C[C@H](O)[C@@H](C(=O)NC1CN(C(=O)c2cccc(C3CCC3)c2)C1)N(C)C.
What is the InChIKey of (2S,3S)-N-[1-(3-cyclobutylbenzoyl)azetidin-3-yl]-2-(dimethylamino)-3-hydroxybutanamide?
The InChIKey is DYCKXLWRRCDCTQ-UGSOOPFHSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-13(24)18(22(2)3)19(25)21-17-11-23(12-17)20(26)16-9-5-8-15(10-16)14-6-4-7-14/h5,8-10,13-14,17-18,24H,4,6-7,11-12H2,1-3H3,(H,21,25)/t13-,18-/m0/s1.
What are the key properties of (2S,3S)-N-[1-(3-cyclobutylbenzoyl)azetidin-3-yl]-2-(dimethylamino)-3-hydroxybutanamide?
(2S,3S)-N-[1-(3-cyclobutylbenzoyl)azetidin-3-yl]-2-(dimethylamino)-3-hydroxybutanamide has a molecular weight of 359.47 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[1-(3-cyclobutylbenzoyl)azetidin-3-yl]-2-(dimethylamino)-3-hydroxybutanamide is sourced from PubChem (CID 167827476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).