tert-butyl-[3-cyclopropyl-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamic acid

C13H24N2O4 — CID 174185990

IUPACtert-butyl-[3-cyclopropyl-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamic acid
SMILESCON(C)C(=O)C(CC1CC1)N(C(=O)O)C(C)(C)C
InChIInChI=1S/C13H24N2O4/c1-13(2,3)15(12(17)18)10(8-9-6-7-9)11(16)14(4)19-5/h9-10H,6-8H2,1-5H3,(H,17,18)
InChIKeyOYMVAULWPXIAGZ-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.95
Rot. Bonds5

About tert-butyl-[3-cyclopropyl-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamic acid

tert-butyl-[3-cyclopropyl-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamic acid (PubChem CID 174185990) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is tert-butyl-[3-cyclopropyl-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[3-cyclopropyl-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamic acid
PubChem CID174185990
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Nametert-butyl-[3-cyclopropyl-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamic acid
SMILESCON(C)C(=O)C(CC1CC1)N(C(=O)O)C(C)(C)C
InChIInChI=1S/C13H24N2O4/c1-13(2,3)15(12(17)18)10(8-9-6-7-9)11(16)14(4)19-5/h9-10H,6-8H2,1-5H3,(H,17,18)
InChIKeyOYMVAULWPXIAGZ-UHFFFAOYSA-N
XLogP1.95
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-N-[(2R)-3-hydroxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate
CID 132586846
2-(tert-butylamino)-3-cyclopentyl-N-methoxy-N-methylpropanamide
CID 141416123
tert-butyl-[(2R)-1-cyclohexyl-3-hydroxypropan-2-yl]carbamic acid
CID 69298750
(2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]-methylamino]-3-cyclopropylpropanoic acid
CID 171550082
tert-butyl (3R)-3-(cyclopropylmethyl)-4-[methoxy(methyl)amino]-4-oxobutanoate;N-cyclohexylcyclohexanamine;(2R)-2-(cyclopropylmethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 160722798
3-cyclobutyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 116861122
tert-butyl-[(2S,3R)-1-cyclohexyl-3-methylsulfonyloxybutan-2-yl]carbamic acid
CID 87303013
tert-butyl-[(1S)-2-cyclohexyl-1-[(2S)-oxiran-2-yl]ethyl]carbamic acid
CID 87182551
[(1S)-1-cyclopropyl-2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid
CID 172789959
tert-butyl-[(2S)-3-cyano-1-methoxy-1-oxopropan-2-yl]carbamic acid
CID 91884961
tert-butyl 4-[methoxy(methyl)amino]-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-oxobutanoate
CID 88965705
tert-butyl-[4-[methoxy(methyl)carbamoyl]cyclohexyl]carbamic acid
CID 87114483

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-cyclopropyl-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamic acid?
The IUPAC name of tert-butyl-[3-cyclopropyl-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamic acid (CID 174185990) is tert-butyl-[3-cyclopropyl-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamic acid.
What is the SMILES notation for tert-butyl-[3-cyclopropyl-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamic acid?
The canonical SMILES for tert-butyl-[3-cyclopropyl-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamic acid is CON(C)C(=O)C(CC1CC1)N(C(=O)O)C(C)(C)C.
What is the InChIKey of tert-butyl-[3-cyclopropyl-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamic acid?
The InChIKey is OYMVAULWPXIAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-13(2,3)15(12(17)18)10(8-9-6-7-9)11(16)14(4)19-5/h9-10H,6-8H2,1-5H3,(H,17,18).
What are the key properties of tert-butyl-[3-cyclopropyl-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamic acid?
tert-butyl-[3-cyclopropyl-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamic acid has a molecular weight of 272.34 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-cyclopropyl-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamic acid is sourced from PubChem (CID 174185990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).