benzyl 2-[[(2R,3R)-2-(2-methylpropyl)-4-oxoazetidin-3-yl]amino]propanoate

C17H24N2O3 — CID 22822744

IUPACbenzyl 2-[[(2R,3R)-2-(2-methylpropyl)-4-oxoazetidin-3-yl]amino]propanoate
SMILESCC(C)C[C@H]1NC(=O)[C@@H]1NC(C)C(=O)OCc1ccccc1
InChIInChI=1S/C17H24N2O3/c1-11(2)9-14-15(16(20)19-14)18-12(3)17(21)22-10-13-7-5-4-6-8-13/h4-8,11-12,14-15,18H,9-10H2,1-3H3,(H,19,20)/t12?,14-,15-/m1/s1
InChIKeyKGPFULGKNWIBQZ-JENMUQSASA-N
MW304.39 g/mol
LogP1.62
Rot. Bonds7

About benzyl 2-[[(2R,3R)-2-(2-methylpropyl)-4-oxoazetidin-3-yl]amino]propanoate

benzyl 2-[[(2R,3R)-2-(2-methylpropyl)-4-oxoazetidin-3-yl]amino]propanoate (PubChem CID 22822744) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is benzyl 2-[[(2R,3R)-2-(2-methylpropyl)-4-oxoazetidin-3-yl]amino]propanoate.

Molecular Properties

Compound Namebenzyl 2-[[(2R,3R)-2-(2-methylpropyl)-4-oxoazetidin-3-yl]amino]propanoate
PubChem CID22822744
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Namebenzyl 2-[[(2R,3R)-2-(2-methylpropyl)-4-oxoazetidin-3-yl]amino]propanoate
SMILESCC(C)C[C@H]1NC(=O)[C@@H]1NC(C)C(=O)OCc1ccccc1
InChIInChI=1S/C17H24N2O3/c1-11(2)9-14-15(16(20)19-14)18-12(3)17(21)22-10-13-7-5-4-6-8-13/h4-8,11-12,14-15,18H,9-10H2,1-3H3,(H,19,20)/t12?,14-,15-/m1/s1
InChIKeyKGPFULGKNWIBQZ-JENMUQSASA-N
XLogP1.62
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2-(cyclopentylamino)propanoate
CID 123711216
benzyl 2-(pyrrolidin-3-ylamino)propanoate
CID 19853358
benzyl N-[(2S,3S,4R)-4-ethyl-2-(2-methylpropyl)-5-oxopyrrolidin-3-yl]carbamate
CID 11726901
benzyl (2S)-2-(benzylamino)propanoate
CID 15488196
benzyl (2S)-2-(methylamino)propanoate;molecular hydrogen
CID 144967680
benzyl N-[(2R,3S)-2-methyl-4-oxoazetidin-3-yl]carbamate
CID 70415779
methyl 3-[4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]propanoate
CID 67630207
1-formamidoethyl [(2R,3R)-4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]methyl carbonate
CID 54333274
benzyl (2S)-2-(prop-2-enylamino)propanoate
CID 10922005
(3R)-3-amino-4-oxo-4-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]butanoic acid
CID 102425705
benzyl N-(2-acetyl-4-oxoazetidin-3-yl)carbamate
CID 54247861
benzyl N-[(2R,3R)-2-acetyl-4-oxoazetidin-3-yl]carbamate
CID 54247862

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[(2R,3R)-2-(2-methylpropyl)-4-oxoazetidin-3-yl]amino]propanoate?
The IUPAC name of benzyl 2-[[(2R,3R)-2-(2-methylpropyl)-4-oxoazetidin-3-yl]amino]propanoate (CID 22822744) is benzyl 2-[[(2R,3R)-2-(2-methylpropyl)-4-oxoazetidin-3-yl]amino]propanoate.
What is the SMILES notation for benzyl 2-[[(2R,3R)-2-(2-methylpropyl)-4-oxoazetidin-3-yl]amino]propanoate?
The canonical SMILES for benzyl 2-[[(2R,3R)-2-(2-methylpropyl)-4-oxoazetidin-3-yl]amino]propanoate is CC(C)C[C@H]1NC(=O)[C@@H]1NC(C)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[[(2R,3R)-2-(2-methylpropyl)-4-oxoazetidin-3-yl]amino]propanoate?
The InChIKey is KGPFULGKNWIBQZ-JENMUQSASA-N. The full InChI is InChI=1S/C17H24N2O3/c1-11(2)9-14-15(16(20)19-14)18-12(3)17(21)22-10-13-7-5-4-6-8-13/h4-8,11-12,14-15,18H,9-10H2,1-3H3,(H,19,20)/t12?,14-,15-/m1/s1.
What are the key properties of benzyl 2-[[(2R,3R)-2-(2-methylpropyl)-4-oxoazetidin-3-yl]amino]propanoate?
benzyl 2-[[(2R,3R)-2-(2-methylpropyl)-4-oxoazetidin-3-yl]amino]propanoate has a molecular weight of 304.39 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[(2R,3R)-2-(2-methylpropyl)-4-oxoazetidin-3-yl]amino]propanoate is sourced from PubChem (CID 22822744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).