(1R)-N-[(2S)-1-amino-3-methoxy-1-oxopropan-2-yl]-2,2-dichlorocyclopropane-1-carboxamide

C8H12Cl2N2O3 — CID 97062033

IUPAC(1R)-N-[(2S)-1-amino-3-methoxy-1-oxopropan-2-yl]-2,2-dichlorocyclopropane-1-carboxamide
SMILESCOC[C@H](NC(=O)[C@H]1CC1(Cl)Cl)C(N)=O
InChIInChI=1S/C8H12Cl2N2O3/c1-15-3-5(6(11)13)12-7(14)4-2-8(4,9)10/h4-5H,2-3H2,1H3,(H2,11,13)(H,12,14)/t4-,5+/m1/s1
InChIKeyXEAXSEDKAQZDGP-UHNVWZDZSA-N
MW255.10 g/mol
LogP-0.20
Rot. Bonds5

About (1R)-N-[(2S)-1-amino-3-methoxy-1-oxopropan-2-yl]-2,2-dichlorocyclopropane-1-carboxamide

(1R)-N-[(2S)-1-amino-3-methoxy-1-oxopropan-2-yl]-2,2-dichlorocyclopropane-1-carboxamide (PubChem CID 97062033) has the molecular formula C8H12Cl2N2O3 and a molecular weight of 255.10 g/mol. Its IUPAC name is (1R)-N-[(2S)-1-amino-3-methoxy-1-oxopropan-2-yl]-2,2-dichlorocyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[(2S)-1-amino-3-methoxy-1-oxopropan-2-yl]-2,2-dichlorocyclopropane-1-carboxamide
PubChem CID97062033
Molecular FormulaC8H12Cl2N2O3
Molecular Weight255.10 g/mol
Exact Mass254.02
IUPAC Name(1R)-N-[(2S)-1-amino-3-methoxy-1-oxopropan-2-yl]-2,2-dichlorocyclopropane-1-carboxamide
SMILESCOC[C@H](NC(=O)[C@H]1CC1(Cl)Cl)C(N)=O
InChIInChI=1S/C8H12Cl2N2O3/c1-15-3-5(6(11)13)12-7(14)4-2-8(4,9)10/h4-5H,2-3H2,1H3,(H2,11,13)(H,12,14)/t4-,5+/m1/s1
InChIKeyXEAXSEDKAQZDGP-UHNVWZDZSA-N
XLogP-0.20
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.10
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze (1R)-N-[(2S)-1-amino-3-methoxy-1-oxopropan-2-yl]-2,2-dichlorocyclopropane-1-carboxamide with MolForge

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Related Compounds

N-[(2,2-dichlorocyclopropyl)methyl]-4-fluoro-3-methoxypyrrolidine-2-carboxamide
CID 123666576
N-(1-amino-3-methoxy-1-oxopropan-2-yl)-2,2-dichlorocyclopropane-1-carboxamide
CID 75391956
(1S)-N-[(2S)-1-amino-3-methoxy-1-oxopropan-2-yl]-2,2-dichlorocyclopropane-1-carboxamide
CID 97062031
(1S)-N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]-2,2-dichlorocyclopropane-1-carboxamide
CID 97062032
(1R)-N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]-2,2-dichlorocyclopropane-1-carboxamide
CID 97062034
2,2-dichloro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-1-methylcyclopropane-1-carboxamide
CID 133938443

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(2S)-1-amino-3-methoxy-1-oxopropan-2-yl]-2,2-dichlorocyclopropane-1-carboxamide?
The IUPAC name of (1R)-N-[(2S)-1-amino-3-methoxy-1-oxopropan-2-yl]-2,2-dichlorocyclopropane-1-carboxamide (CID 97062033) is (1R)-N-[(2S)-1-amino-3-methoxy-1-oxopropan-2-yl]-2,2-dichlorocyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-N-[(2S)-1-amino-3-methoxy-1-oxopropan-2-yl]-2,2-dichlorocyclopropane-1-carboxamide?
The canonical SMILES for (1R)-N-[(2S)-1-amino-3-methoxy-1-oxopropan-2-yl]-2,2-dichlorocyclopropane-1-carboxamide is COC[C@H](NC(=O)[C@H]1CC1(Cl)Cl)C(N)=O.
What is the InChIKey of (1R)-N-[(2S)-1-amino-3-methoxy-1-oxopropan-2-yl]-2,2-dichlorocyclopropane-1-carboxamide?
The InChIKey is XEAXSEDKAQZDGP-UHNVWZDZSA-N. The full InChI is InChI=1S/C8H12Cl2N2O3/c1-15-3-5(6(11)13)12-7(14)4-2-8(4,9)10/h4-5H,2-3H2,1H3,(H2,11,13)(H,12,14)/t4-,5+/m1/s1.
What are the key properties of (1R)-N-[(2S)-1-amino-3-methoxy-1-oxopropan-2-yl]-2,2-dichlorocyclopropane-1-carboxamide?
(1R)-N-[(2S)-1-amino-3-methoxy-1-oxopropan-2-yl]-2,2-dichlorocyclopropane-1-carboxamide has a molecular weight of 255.10 g/mol, XLogP of -0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(2S)-1-amino-3-methoxy-1-oxopropan-2-yl]-2,2-dichlorocyclopropane-1-carboxamide is sourced from PubChem (CID 97062033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).