tert-butyl N-[(2S)-4-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate

C12H24N2O4 — CID 169302219

IUPACtert-butyl N-[(2S)-4-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate
SMILESCC(C)NC(=O)[C@H](CCO)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O4/c1-8(2)13-10(16)9(6-7-15)14-11(17)18-12(3,4)5/h8-9,15H,6-7H2,1-5H3,(H,13,16)(H,14,17)/t9-/m0/s1
InChIKeySERRPDWAQSMUPM-VIFPVBQESA-N
MW260.33 g/mol
LogP0.79
Rot. Bonds5

About tert-butyl N-[(2S)-4-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate

tert-butyl N-[(2S)-4-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate (PubChem CID 169302219) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is tert-butyl N-[(2S)-4-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-4-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate
PubChem CID169302219
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Nametert-butyl N-[(2S)-4-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate
SMILESCC(C)NC(=O)[C@H](CCO)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O4/c1-8(2)13-10(16)9(6-7-15)14-11(17)18-12(3,4)5/h8-9,15H,6-7H2,1-5H3,(H,13,16)(H,14,17)/t9-/m0/s1
InChIKeySERRPDWAQSMUPM-VIFPVBQESA-N
XLogP0.79
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-hydroxy-1-(methylamino)-1-oxobutan-2-yl]carbamate
CID 144676019
tert-butyl N-[4-methylsulfanyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate
CID 24688995
(2S)-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 13066457
tert-butyl N-[(2S)-4-hydroxy-1-[methoxy(methyl)amino]-1-oxobutan-2-yl]carbamate
CID 10858271
tert-butyl (5S)-7-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoheptanoate
CID 11739040
tert-butyl N-[3-hydroxy-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]carbamate
CID 22253941
tert-butyl N-[(3S)-1-hydroxy-5-methylhexan-3-yl]carbamate
CID 87063359
tert-butyl (2S)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 10062769
(2S)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 10728329
3-aminopentane-1,5-diol;tert-butyl N-(1,5-dihydroxypentan-3-yl)carbamate
CID 161209613
tert-butyl N-[(2S)-1-(1-hydroxypropan-2-ylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 101493965
tert-butyl N-[1-(2-hydroxyethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]carbamate
CID 85145706

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-4-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-4-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate (CID 169302219) is tert-butyl N-[(2S)-4-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-4-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-4-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate is CC(C)NC(=O)[C@H](CCO)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-4-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate?
The InChIKey is SERRPDWAQSMUPM-VIFPVBQESA-N. The full InChI is InChI=1S/C12H24N2O4/c1-8(2)13-10(16)9(6-7-15)14-11(17)18-12(3,4)5/h8-9,15H,6-7H2,1-5H3,(H,13,16)(H,14,17)/t9-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-4-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate?
tert-butyl N-[(2S)-4-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate has a molecular weight of 260.33 g/mol, XLogP of 0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-4-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate is sourced from PubChem (CID 169302219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).