tert-butyl N-[4-(2,3-dihydroxypropylamino)phenyl]carbamate

C14H22N2O4 — CID 168596980

IUPACtert-butyl N-[4-(2,3-dihydroxypropylamino)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(NCC(O)CO)cc1
InChIInChI=1S/C14H22N2O4/c1-14(2,3)20-13(19)16-11-6-4-10(5-7-11)15-8-12(18)9-17/h4-7,12,15,17-18H,8-9H2,1-3H3,(H,16,19)
InChIKeyYYNVPRVLMUGDPO-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.80
Rot. Bonds5

About tert-butyl N-[4-(2,3-dihydroxypropylamino)phenyl]carbamate

tert-butyl N-[4-(2,3-dihydroxypropylamino)phenyl]carbamate (PubChem CID 168596980) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is tert-butyl N-[4-(2,3-dihydroxypropylamino)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(2,3-dihydroxypropylamino)phenyl]carbamate
PubChem CID168596980
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Nametert-butyl N-[4-(2,3-dihydroxypropylamino)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(NCC(O)CO)cc1
InChIInChI=1S/C14H22N2O4/c1-14(2,3)20-13(19)16-11-6-4-10(5-7-11)15-8-12(18)9-17/h4-7,12,15,17-18H,8-9H2,1-3H3,(H,16,19)
InChIKeyYYNVPRVLMUGDPO-UHFFFAOYSA-N
XLogP1.80
TPSA90.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate
CID 10241638
tert-butyl N-[3-(4-cyanoanilino)-2-hydroxypropyl]carbamate
CID 67540537
tert-butyl N-[4-(prop-2-enylamino)phenyl]carbamate
CID 112980140
tert-butyl N-(4-propan-2-ylphenyl)carbamate
CID 10868278
tert-butyl N-(4-sulfanylphenyl)carbamate
CID 59412418
tert-butyl N-[4-(2,2-difluoroethyl)phenyl]carbamate
CID 122648326
tert-butyl N-[4-bromo-3-[(3-chloro-2-hydroxypropyl)amino]phenyl]carbamate
CID 168640226
methyl 2-[4-(2,3-dihydroxypropylamino)phenyl]propanoate
CID 168594899
tert-butyl N-[4-(4-propan-2-yloxyanilino)phenyl]carbamate
CID 112987837
methyl (2S)-3-hydroxy-2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]propanoate
CID 9278088
[2-amino-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoyl]azanium
CID 142071263
tert-butyl N-[4-(4-hydroxyphenyl)phenyl]carbamate
CID 53218743

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(2,3-dihydroxypropylamino)phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-(2,3-dihydroxypropylamino)phenyl]carbamate (CID 168596980) is tert-butyl N-[4-(2,3-dihydroxypropylamino)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(2,3-dihydroxypropylamino)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(2,3-dihydroxypropylamino)phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(NCC(O)CO)cc1.
What is the InChIKey of tert-butyl N-[4-(2,3-dihydroxypropylamino)phenyl]carbamate?
The InChIKey is YYNVPRVLMUGDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-14(2,3)20-13(19)16-11-6-4-10(5-7-11)15-8-12(18)9-17/h4-7,12,15,17-18H,8-9H2,1-3H3,(H,16,19).
What are the key properties of tert-butyl N-[4-(2,3-dihydroxypropylamino)phenyl]carbamate?
tert-butyl N-[4-(2,3-dihydroxypropylamino)phenyl]carbamate has a molecular weight of 282.34 g/mol, XLogP of 1.80, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(2,3-dihydroxypropylamino)phenyl]carbamate is sourced from PubChem (CID 168596980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).