N-tert-butyl-N-[(2R)-3-hydroxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate

C10H19N2O5- — CID 132586846

IUPACN-tert-butyl-N-[(2R)-3-hydroxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate
SMILESCON(C)C(=O)[C@@H](CO)N(C(=O)[O-])C(C)(C)C
InChIInChI=1S/C10H20N2O5/c1-10(2,3)12(9(15)16)7(6-13)8(14)11(4)17-5/h7,13H,6H2,1-5H3,(H,15,16)/p-1/t7-/m1/s1
InChIKeyAIUMJWGQUBNIFV-SSDOTTSWSA-M
MW247.27 g/mol
LogP-1.19
Rot. Bonds4

About N-tert-butyl-N-[(2R)-3-hydroxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate

N-tert-butyl-N-[(2R)-3-hydroxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate (PubChem CID 132586846) has the molecular formula C10H19N2O5- and a molecular weight of 247.27 g/mol. Its IUPAC name is N-tert-butyl-N-[(2R)-3-hydroxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound NameN-tert-butyl-N-[(2R)-3-hydroxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate
PubChem CID132586846
Molecular FormulaC10H19N2O5-
Molecular Weight247.27 g/mol
Exact Mass247.13
IUPAC NameN-tert-butyl-N-[(2R)-3-hydroxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate
SMILESCON(C)C(=O)[C@@H](CO)N(C(=O)[O-])C(C)(C)C
InChIInChI=1S/C10H20N2O5/c1-10(2,3)12(9(15)16)7(6-13)8(14)11(4)17-5/h7,13H,6H2,1-5H3,(H,15,16)/p-1/t7-/m1/s1
InChIKeyAIUMJWGQUBNIFV-SSDOTTSWSA-M
XLogP-1.19
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 5-1.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[3-cyclopropyl-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamic acid
CID 174185990
methyl 2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxypropanoate
CID 166732577
tert-butyl 4-[methoxy(methyl)amino]-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-oxobutanoate
CID 88965705
[1-[methoxy(methyl)amino]-4,4-dimethyl-1-oxopentan-2-yl] carbamate
CID 160785911
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-N-methoxy-N,3,3-trimethylbutanamide
CID 11109525
(2S,3S)-3-(hydroxymethyl)-N-methoxy-N,2-dimethylpent-4-enamide
CID 130367251
tert-butyl N-[(2S)-4-hydroxy-1-[methoxy(methyl)amino]-1-oxobutan-2-yl]carbamate
CID 10858271
N-methoxy-N,2,4-trimethylpentanamide
CID 161245608
tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]-N-methylcarbamate
CID 59656752
[1-[methoxy(methyl)amino]-1-oxobutan-2-yl]azanide;rubidium(1+)
CID 59898303
3-hydroxy-N-methoxy-N,2-dimethylpentanamide
CID 85166766
(2R,3R)-2,3-dihydroxy-N-methoxy-N-methyl-4-oxopentanamide
CID 134856365

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[(2R)-3-hydroxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of N-tert-butyl-N-[(2R)-3-hydroxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate (CID 132586846) is N-tert-butyl-N-[(2R)-3-hydroxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for N-tert-butyl-N-[(2R)-3-hydroxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for N-tert-butyl-N-[(2R)-3-hydroxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate is CON(C)C(=O)[C@@H](CO)N(C(=O)[O-])C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-[(2R)-3-hydroxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate?
The InChIKey is AIUMJWGQUBNIFV-SSDOTTSWSA-M. The full InChI is InChI=1S/C10H20N2O5/c1-10(2,3)12(9(15)16)7(6-13)8(14)11(4)17-5/h7,13H,6H2,1-5H3,(H,15,16)/p-1/t7-/m1/s1.
What are the key properties of N-tert-butyl-N-[(2R)-3-hydroxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate?
N-tert-butyl-N-[(2R)-3-hydroxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate has a molecular weight of 247.27 g/mol, XLogP of -1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[(2R)-3-hydroxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 132586846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).