benzyl (2R)-2-benzyl-2-[[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]azetidine-1-carboxylate

C24H29N3O4 — CID 53326611

IUPACbenzyl (2R)-2-benzyl-2-[[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]azetidine-1-carboxylate
SMILESC[C@H](NC(=O)[C@@]1(Cc2ccccc2)CCN1C(=O)OCc1ccccc1)C(=O)N(C)C
InChIInChI=1S/C24H29N3O4/c1-18(21(28)26(2)3)25-22(29)24(16-19-10-6-4-7-11-19)14-15-27(24)23(30)31-17-20-12-8-5-9-13-20/h4-13,18H,14-17H2,1-3H3,(H,25,29)/t18-,24-/m0/s1
InChIKeyFFSRLRZFLNGBLZ-UUOWRZLLSA-N
MW423.51 g/mol
LogP2.60
Rot. Bonds7

About benzyl (2R)-2-benzyl-2-[[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]azetidine-1-carboxylate

benzyl (2R)-2-benzyl-2-[[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]azetidine-1-carboxylate (PubChem CID 53326611) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is benzyl (2R)-2-benzyl-2-[[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]azetidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R)-2-benzyl-2-[[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]azetidine-1-carboxylate
PubChem CID53326611
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Namebenzyl (2R)-2-benzyl-2-[[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]azetidine-1-carboxylate
SMILESC[C@H](NC(=O)[C@@]1(Cc2ccccc2)CCN1C(=O)OCc1ccccc1)C(=O)N(C)C
InChIInChI=1S/C24H29N3O4/c1-18(21(28)26(2)3)25-22(29)24(16-19-10-6-4-7-11-19)14-15-27(24)23(30)31-17-20-12-8-5-9-13-20/h4-13,18H,14-17H2,1-3H3,(H,25,29)/t18-,24-/m0/s1
InChIKeyFFSRLRZFLNGBLZ-UUOWRZLLSA-N
XLogP2.60
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze benzyl (2R)-2-benzyl-2-[[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]azetidine-1-carboxylate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-benzyl-2-[[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]azetidine-1-carboxylate?
The IUPAC name of benzyl (2R)-2-benzyl-2-[[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]azetidine-1-carboxylate (CID 53326611) is benzyl (2R)-2-benzyl-2-[[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]azetidine-1-carboxylate.
What is the SMILES notation for benzyl (2R)-2-benzyl-2-[[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]azetidine-1-carboxylate?
The canonical SMILES for benzyl (2R)-2-benzyl-2-[[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]azetidine-1-carboxylate is C[C@H](NC(=O)[C@@]1(Cc2ccccc2)CCN1C(=O)OCc1ccccc1)C(=O)N(C)C.
What is the InChIKey of benzyl (2R)-2-benzyl-2-[[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]azetidine-1-carboxylate?
The InChIKey is FFSRLRZFLNGBLZ-UUOWRZLLSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-18(21(28)26(2)3)25-22(29)24(16-19-10-6-4-7-11-19)14-15-27(24)23(30)31-17-20-12-8-5-9-13-20/h4-13,18H,14-17H2,1-3H3,(H,25,29)/t18-,24-/m0/s1.
What are the key properties of benzyl (2R)-2-benzyl-2-[[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]azetidine-1-carboxylate?
benzyl (2R)-2-benzyl-2-[[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]azetidine-1-carboxylate has a molecular weight of 423.51 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-benzyl-2-[[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]azetidine-1-carboxylate is sourced from PubChem (CID 53326611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).