benzyl N-[(2S)-1-(oxan-4-ylamino)-1-oxobutan-2-yl]carbamate

C17H24N2O4 — CID 118993050

IUPACbenzyl N-[(2S)-1-(oxan-4-ylamino)-1-oxobutan-2-yl]carbamate
SMILESCC[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCOCC1
InChIInChI=1S/C17H24N2O4/c1-2-15(16(20)18-14-8-10-22-11-9-14)19-17(21)23-12-13-6-4-3-5-7-13/h3-7,14-15H,2,8-12H2,1H3,(H,18,20)(H,19,21)/t15-/m0/s1
InChIKeyATQZHFAMPXUXFN-HNNXBMFYSA-N
MW320.39 g/mol
LogP1.99
Rot. Bonds6

About benzyl N-[(2S)-1-(oxan-4-ylamino)-1-oxobutan-2-yl]carbamate

benzyl N-[(2S)-1-(oxan-4-ylamino)-1-oxobutan-2-yl]carbamate (PubChem CID 118993050) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is benzyl N-[(2S)-1-(oxan-4-ylamino)-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-1-(oxan-4-ylamino)-1-oxobutan-2-yl]carbamate
PubChem CID118993050
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Namebenzyl N-[(2S)-1-(oxan-4-ylamino)-1-oxobutan-2-yl]carbamate
SMILESCC[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCOCC1
InChIInChI=1S/C17H24N2O4/c1-2-15(16(20)18-14-8-10-22-11-9-14)19-17(21)23-12-13-6-4-3-5-7-13/h3-7,14-15H,2,8-12H2,1H3,(H,18,20)(H,19,21)/t15-/m0/s1
InChIKeyATQZHFAMPXUXFN-HNNXBMFYSA-N
XLogP1.99
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[(2S)-4-methyl-1-oxo-1-[[(3S)-oxolan-3-yl]amino]pentan-2-yl]carbamate
CID 123959653
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CID 51159515
methyl 2-(phenylmethoxycarbonylamino)butanoate
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benzyl N-[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]carbamate
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benzyl N-[1-(cyclopentylamino)-1-oxopropan-2-yl]carbamate
CID 42885017
benzyl N-[(2S)-6-amino-1-(cyclopentylamino)-1-oxohexan-2-yl]carbamate
CID 140895488
benzyl N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]carbamate
CID 18108659
(2S)-3-phenyl-2-[[(2S)-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoic acid
CID 59254472
benzyl N-[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl]carbamate
CID 39958646
benzyl N-[(3R)-2-methylpent-1-en-3-yl]carbamate
CID 89365445
benzyl N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]carbamate
CID 97267835
benzyl N-[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]carbamate
CID 59716955

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-1-(oxan-4-ylamino)-1-oxobutan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-1-(oxan-4-ylamino)-1-oxobutan-2-yl]carbamate (CID 118993050) is benzyl N-[(2S)-1-(oxan-4-ylamino)-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-1-(oxan-4-ylamino)-1-oxobutan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-1-(oxan-4-ylamino)-1-oxobutan-2-yl]carbamate is CC[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCOCC1.
What is the InChIKey of benzyl N-[(2S)-1-(oxan-4-ylamino)-1-oxobutan-2-yl]carbamate?
The InChIKey is ATQZHFAMPXUXFN-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-2-15(16(20)18-14-8-10-22-11-9-14)19-17(21)23-12-13-6-4-3-5-7-13/h3-7,14-15H,2,8-12H2,1H3,(H,18,20)(H,19,21)/t15-/m0/s1.
What are the key properties of benzyl N-[(2S)-1-(oxan-4-ylamino)-1-oxobutan-2-yl]carbamate?
benzyl N-[(2S)-1-(oxan-4-ylamino)-1-oxobutan-2-yl]carbamate has a molecular weight of 320.39 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-1-(oxan-4-ylamino)-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 118993050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).