tert-butyl N-[(2R)-2-amino-3-oxobutyl]carbamate

C9H18N2O3 — CID 170234011

IUPACtert-butyl N-[(2R)-2-amino-3-oxobutyl]carbamate
SMILESCC(=O)[C@H](N)CNC(=O)OC(C)(C)C
InChIInChI=1S/C9H18N2O3/c1-6(12)7(10)5-11-8(13)14-9(2,3)4/h7H,5,10H2,1-4H3,(H,11,13)/t7-/m1/s1
InChIKeyQBXYAGYZTMTFOS-SSDOTTSWSA-N
MW202.25 g/mol
LogP0.43
Rot. Bonds3

About tert-butyl N-[(2R)-2-amino-3-oxobutyl]carbamate

tert-butyl N-[(2R)-2-amino-3-oxobutyl]carbamate (PubChem CID 170234011) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is tert-butyl N-[(2R)-2-amino-3-oxobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-2-amino-3-oxobutyl]carbamate
PubChem CID170234011
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Nametert-butyl N-[(2R)-2-amino-3-oxobutyl]carbamate
SMILESCC(=O)[C@H](N)CNC(=O)OC(C)(C)C
InChIInChI=1S/C9H18N2O3/c1-6(12)7(10)5-11-8(13)14-9(2,3)4/h7H,5,10H2,1-4H3,(H,11,13)/t7-/m1/s1
InChIKeyQBXYAGYZTMTFOS-SSDOTTSWSA-N
XLogP0.43
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2R)-2-aminopropyl]carbamate
CID 45072491
tert-butyl N-[(2R)-2-aminopropyl]carbamate;hydrochloride
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tert-butyl N-(2-amino-3-methylbutyl)carbamate
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tert-butyl N-[(2R)-2-amino-3-methylpentyl]carbamate
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tert-butyl N-(3-amino-2-iodopropyl)carbamate
CID 118190466
methyl 2-iodo-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
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tert-butyl N-[2-acetamido-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 130120378
tert-butyl N-ethylcarbamate;hydroxylamine
CID 21286916
tert-butyl N-[(2S)-2-amino-2-cyclopropylethyl]carbamate
CID 67446222
tert-butyl N-(2-amino-3-phosphanyloxypropyl)carbamate
CID 59704846
tert-butyl N-(2-hydroxy-2-sulfanylethyl)carbamate
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benzyl (2S)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;hydrochloride
CID 122173606

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-2-amino-3-oxobutyl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-2-amino-3-oxobutyl]carbamate (CID 170234011) is tert-butyl N-[(2R)-2-amino-3-oxobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-2-amino-3-oxobutyl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-2-amino-3-oxobutyl]carbamate is CC(=O)[C@H](N)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-2-amino-3-oxobutyl]carbamate?
The InChIKey is QBXYAGYZTMTFOS-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-6(12)7(10)5-11-8(13)14-9(2,3)4/h7H,5,10H2,1-4H3,(H,11,13)/t7-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-2-amino-3-oxobutyl]carbamate?
tert-butyl N-[(2R)-2-amino-3-oxobutyl]carbamate has a molecular weight of 202.25 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-2-amino-3-oxobutyl]carbamate is sourced from PubChem (CID 170234011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).