[(1S)-1-cyclopropyl-2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid

C8H14N2O4 — CID 172789959

IUPAC[(1S)-1-cyclopropyl-2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid
SMILESCON(C)C(=O)[C@@H](NC(=O)O)C1CC1
InChIInChI=1S/C8H14N2O4/c1-10(14-2)7(11)6(5-3-4-5)9-8(12)13/h5-6,9H,3-4H2,1-2H3,(H,12,13)/t6-/m0/s1
InChIKeyPKSPPGFYNSQVHY-LURJTMIESA-N
MW202.21 g/mol
LogP0.05
Rot. Bonds4

About [(1S)-1-cyclopropyl-2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid

[(1S)-1-cyclopropyl-2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid (PubChem CID 172789959) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is [(1S)-1-cyclopropyl-2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid.

Molecular Properties

Compound Name[(1S)-1-cyclopropyl-2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid
PubChem CID172789959
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name[(1S)-1-cyclopropyl-2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid
SMILESCON(C)C(=O)[C@@H](NC(=O)O)C1CC1
InChIInChI=1S/C8H14N2O4/c1-10(14-2)7(11)6(5-3-4-5)9-8(12)13/h5-6,9H,3-4H2,1-2H3,(H,12,13)/t6-/m0/s1
InChIKeyPKSPPGFYNSQVHY-LURJTMIESA-N
XLogP0.05
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(1S)-1-cyclohexyl-2-[methoxy(methyl)amino]-2-oxoethyl]carbamate;(2S)-2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;N-methoxymethanamine;hydrochloride
CID 159188171
tert-butyl N-[(1S)-1-cyclopropyl-2-(dimethylamino)-2-oxoethyl]carbamate
CID 86678914
methyl 2-acetamido-2-cyclopropylacetate
CID 121215489
[(2S)-3-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamic acid
CID 175890922
tert-butyl-[3-cyclopropyl-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamic acid
CID 174185990
2-(tert-butylamino)-3-cyclopentyl-N-methoxy-N-methylpropanamide
CID 141416123
ethane;methyl N-(1-cyclopropyl-2-oxopropyl)carbamate
CID 143630049
methane;(2S)-N-methoxy-N-methyl-2-(methylamino)propanamide;(2R)-N-methoxy-N-methyl-2-(methylamino)propanamide
CID 158882203
benzene;N-methoxy-N-methylcyclopropanecarboxamide
CID 170770192
methyl 2-cyclopropyl-2-(cyclopropylamino)acetate
CID 61310174
2-cyclohexyl-2-(dimethylaminocarbamoylamino)acetic acid
CID 83017392
2-cyclopropyl-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]acetic acid
CID 55257507

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-cyclopropyl-2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid?
The IUPAC name of [(1S)-1-cyclopropyl-2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid (CID 172789959) is [(1S)-1-cyclopropyl-2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid.
What is the SMILES notation for [(1S)-1-cyclopropyl-2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid?
The canonical SMILES for [(1S)-1-cyclopropyl-2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid is CON(C)C(=O)[C@@H](NC(=O)O)C1CC1.
What is the InChIKey of [(1S)-1-cyclopropyl-2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid?
The InChIKey is PKSPPGFYNSQVHY-LURJTMIESA-N. The full InChI is InChI=1S/C8H14N2O4/c1-10(14-2)7(11)6(5-3-4-5)9-8(12)13/h5-6,9H,3-4H2,1-2H3,(H,12,13)/t6-/m0/s1.
What are the key properties of [(1S)-1-cyclopropyl-2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid?
[(1S)-1-cyclopropyl-2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid has a molecular weight of 202.21 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-cyclopropyl-2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid is sourced from PubChem (CID 172789959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).