(4-amino-2-hydroxybutyl) N-tert-butylcarbamate

C9H20N2O3 — CID 175489678

IUPAC(4-amino-2-hydroxybutyl) N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCC(O)CCN
InChIInChI=1S/C9H20N2O3/c1-9(2,3)11-8(13)14-6-7(12)4-5-10/h7,12H,4-6,10H2,1-3H3,(H,11,13)
InChIKeyREANZXYDNAPEJV-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.22
Rot. Bonds4

About (4-amino-2-hydroxybutyl) N-tert-butylcarbamate

(4-amino-2-hydroxybutyl) N-tert-butylcarbamate (PubChem CID 175489678) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is (4-amino-2-hydroxybutyl) N-tert-butylcarbamate.

Molecular Properties

Compound Name(4-amino-2-hydroxybutyl) N-tert-butylcarbamate
PubChem CID175489678
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Name(4-amino-2-hydroxybutyl) N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCC(O)CCN
InChIInChI=1S/C9H20N2O3/c1-9(2,3)11-8(13)14-6-7(12)4-5-10/h7,12H,4-6,10H2,1-3H3,(H,11,13)
InChIKeyREANZXYDNAPEJV-UHFFFAOYSA-N
XLogP0.22
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-difluoroethyl N-tert-butylcarbamate
CID 174785314
2-methoxypropyl N-tert-butylcarbamate
CID 174838814
[(2S)-3-(4-acetylpiperazin-1-yl)-2-hydroxypropyl] N-tert-butylcarbamate
CID 174990709
(2S)-2,4-diamino-N-tert-butylbutanamide
CID 164800248
2-(tert-butylcarbamoyloxy)ethyl N-tert-butylcarbamate
CID 176596941
ethyl 3-(tert-butylcarbamoyloxy)-2-methylpropanoate
CID 174901087
tert-butyl N-(8-amino-3,6-dihydroxyoctyl)carbamate
CID 174908055
2-[2-(3-aminopropoxy)ethoxy]propyl N-tert-butylcarbamate
CID 175303197
2,2-dimethylpropyl N-tert-butylcarbamate
CID 11171443
2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl N-tert-butylcarbamate
CID 175605788
[2-fluoro-2-(3-hydroxyoxetan-3-yl)ethyl] N-tert-butylcarbamate
CID 142733173
1-(4-amino-1-methoxybutan-2-yl)-3-tert-butylurea
CID 106153652

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-hydroxybutyl) N-tert-butylcarbamate?
The IUPAC name of (4-amino-2-hydroxybutyl) N-tert-butylcarbamate (CID 175489678) is (4-amino-2-hydroxybutyl) N-tert-butylcarbamate.
What is the SMILES notation for (4-amino-2-hydroxybutyl) N-tert-butylcarbamate?
The canonical SMILES for (4-amino-2-hydroxybutyl) N-tert-butylcarbamate is CC(C)(C)NC(=O)OCC(O)CCN.
What is the InChIKey of (4-amino-2-hydroxybutyl) N-tert-butylcarbamate?
The InChIKey is REANZXYDNAPEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3/c1-9(2,3)11-8(13)14-6-7(12)4-5-10/h7,12H,4-6,10H2,1-3H3,(H,11,13).
What are the key properties of (4-amino-2-hydroxybutyl) N-tert-butylcarbamate?
(4-amino-2-hydroxybutyl) N-tert-butylcarbamate has a molecular weight of 204.27 g/mol, XLogP of 0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-hydroxybutyl) N-tert-butylcarbamate is sourced from PubChem (CID 175489678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).