benzyl N-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]carbamate

C14H20N2O6 — CID 11449782

IUPACbenzyl N-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]carbamate
SMILESO=C(CNC(=O)OCc1ccccc1)NC(CO)(CO)CO
InChIInChI=1S/C14H20N2O6/c17-8-14(9-18,10-19)16-12(20)6-15-13(21)22-7-11-4-2-1-3-5-11/h1-5,17-19H,6-10H2,(H,15,21)(H,16,20)
InChIKeyBWOYDUSFGMHBET-UHFFFAOYSA-N
MW312.32 g/mol
LogP-1.26
Rot. Bonds8

About benzyl N-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]carbamate

benzyl N-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]carbamate (PubChem CID 11449782) has the molecular formula C14H20N2O6 and a molecular weight of 312.32 g/mol. Its IUPAC name is benzyl N-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]carbamate
PubChem CID11449782
Molecular FormulaC14H20N2O6
Molecular Weight312.32 g/mol
Exact Mass312.13
IUPAC Namebenzyl N-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]carbamate
SMILESO=C(CNC(=O)OCc1ccccc1)NC(CO)(CO)CO
InChIInChI=1S/C14H20N2O6/c17-8-14(9-18,10-19)16-12(20)6-15-13(21)22-7-11-4-2-1-3-5-11/h1-5,17-19H,6-10H2,(H,15,21)(H,16,20)
InChIKeyBWOYDUSFGMHBET-UHFFFAOYSA-N
XLogP-1.26
TPSA128.12 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 5-1.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl N-(2-benzyl-1,3-dihydroxypropan-2-yl)carbamate
CID 102156454
calcium;bis(2-methyl-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoate);dihydrate
CID 139088616
benzyl N-(2-amino-2-oxoethyl)carbamate
CID 69459510
tert-butyl 3-[3-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]methyl]-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propoxy]propanoate
CID 66510771
benzyl N-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propyl]carbamate
CID 167407523
benzyl N-[2-[(2,6-dihydroxycyclohexyl)amino]-2-oxoethyl]carbamate
CID 13338812
methyl 3-[3-[3-[3-[(3-methoxy-3-oxopropyl)amino]-3-oxopropoxy]-2-[[3-[(3-methoxy-3-oxopropyl)amino]-3-oxopropoxy]methyl]-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propoxy]propanoylamino]propanoate
CID 134573945
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-(2-aminoprop-2-enyl)carbamate
CID 146420722
(2S)-3,3-dimethyl-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]butanoic acid
CID 70836748
(2R)-3-phenyl-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoic acid
CID 6992405
benzyl N-(2-oxo-3-sulfanylpropyl)carbamate
CID 24832042

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]carbamate?
The IUPAC name of benzyl N-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]carbamate (CID 11449782) is benzyl N-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]carbamate?
The canonical SMILES for benzyl N-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]carbamate is O=C(CNC(=O)OCc1ccccc1)NC(CO)(CO)CO.
What is the InChIKey of benzyl N-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]carbamate?
The InChIKey is BWOYDUSFGMHBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O6/c17-8-14(9-18,10-19)16-12(20)6-15-13(21)22-7-11-4-2-1-3-5-11/h1-5,17-19H,6-10H2,(H,15,21)(H,16,20).
What are the key properties of benzyl N-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]carbamate?
benzyl N-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]carbamate has a molecular weight of 312.32 g/mol, XLogP of -1.26, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 11449782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).