tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]-N-propylcarbamate

C11H22N2O3 — CID 89116741

IUPACtert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]-N-propylcarbamate
SMILESCCCN(C(=O)OC(C)(C)C)[C@@H](C)C(N)=O
InChIInChI=1S/C11H22N2O3/c1-6-7-13(8(2)9(12)14)10(15)16-11(3,4)5/h8H,6-7H2,1-5H3,(H2,12,14)/t8-/m0/s1
InChIKeySWXYLHOIGWDMNL-QMMMGPOBSA-N
MW230.31 g/mol
LogP1.51
Rot. Bonds4

About tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]-N-propylcarbamate

tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]-N-propylcarbamate (PubChem CID 89116741) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]-N-propylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]-N-propylcarbamate
PubChem CID89116741
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nametert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]-N-propylcarbamate
SMILESCCCN(C(=O)OC(C)(C)C)[C@@H](C)C(N)=O
InChIInChI=1S/C11H22N2O3/c1-6-7-13(8(2)9(12)14)10(15)16-11(3,4)5/h8H,6-7H2,1-5H3,(H2,12,14)/t8-/m0/s1
InChIKeySWXYLHOIGWDMNL-QMMMGPOBSA-N
XLogP1.51
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]-3-sulfanylpropanoic acid
CID 87312791
ethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 139554815
tert-butyl N-ethyl-N-(4-methyl-3-oxohexan-2-yl)carbamate
CID 123630138
tert-butyl N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 87174502
methyl (2S)-2-[2-cyanoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 91978648
2-(dipropylamino)propanamide
CID 18474126
tert-butyl N-[1-[4-(chloromethyl)phenyl]ethyl]-N-propylcarbamate
CID 170167324
2-[(2-methylpropan-2-yl)oxycarbonyl-(4-oxopentyl)amino]propanoic acid
CID 22008880
tert-butyl 3-[1-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 174810655
methyl (2S)-2-[methoxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 139916802
tert-butyl N-(2-hydroxypropyl)-N-pentan-2-ylcarbamate
CID 162438546
(2S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]propanoic acid
CID 170277244

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]-N-propylcarbamate?
The IUPAC name of tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]-N-propylcarbamate (CID 89116741) is tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]-N-propylcarbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]-N-propylcarbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]-N-propylcarbamate is CCCN(C(=O)OC(C)(C)C)[C@@H](C)C(N)=O.
What is the InChIKey of tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]-N-propylcarbamate?
The InChIKey is SWXYLHOIGWDMNL-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-6-7-13(8(2)9(12)14)10(15)16-11(3,4)5/h8H,6-7H2,1-5H3,(H2,12,14)/t8-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]-N-propylcarbamate?
tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]-N-propylcarbamate has a molecular weight of 230.31 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]-N-propylcarbamate is sourced from PubChem (CID 89116741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).