N-(1-amino-3-methyl-1-oxopentan-2-yl)-2,2-dichlorocyclopropane-1-carboxamide

C10H16Cl2N2O2 — CID 78790829

IUPACN-(1-amino-3-methyl-1-oxopentan-2-yl)-2,2-dichlorocyclopropane-1-carboxamide
SMILESCCC(C)C(NC(=O)C1CC1(Cl)Cl)C(N)=O
InChIInChI=1S/C10H16Cl2N2O2/c1-3-5(2)7(8(13)15)14-9(16)6-4-10(6,11)12/h5-7H,3-4H2,1-2H3,(H2,13,15)(H,14,16)
InChIKeyAHVUWQKDYLGSKH-UHFFFAOYSA-N
MW267.16 g/mol
LogP1.20
Rot. Bonds5

About N-(1-amino-3-methyl-1-oxopentan-2-yl)-2,2-dichlorocyclopropane-1-carboxamide

N-(1-amino-3-methyl-1-oxopentan-2-yl)-2,2-dichlorocyclopropane-1-carboxamide (PubChem CID 78790829) has the molecular formula C10H16Cl2N2O2 and a molecular weight of 267.16 g/mol. Its IUPAC name is N-(1-amino-3-methyl-1-oxopentan-2-yl)-2,2-dichlorocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1-amino-3-methyl-1-oxopentan-2-yl)-2,2-dichlorocyclopropane-1-carboxamide
PubChem CID78790829
Molecular FormulaC10H16Cl2N2O2
Molecular Weight267.16 g/mol
Exact Mass266.06
IUPAC NameN-(1-amino-3-methyl-1-oxopentan-2-yl)-2,2-dichlorocyclopropane-1-carboxamide
SMILESCCC(C)C(NC(=O)C1CC1(Cl)Cl)C(N)=O
InChIInChI=1S/C10H16Cl2N2O2/c1-3-5(2)7(8(13)15)14-9(16)6-4-10(6,11)12/h5-7H,3-4H2,1-2H3,(H2,13,15)(H,14,16)
InChIKeyAHVUWQKDYLGSKH-UHFFFAOYSA-N
XLogP1.20
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-N-[(2S)-1-amino-3-methoxy-1-oxopropan-2-yl]-2,2-dichlorocyclopropane-1-carboxamide
CID 97062033
(2S,3S)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-3-methylpentanoic acid
CID 106703216
(2S,3S)-2-acetamido-3-methylpentanamide
CID 6950966
3-methyl-2-(spiro[2.4]heptane-2-carbonylamino)pentanoic acid
CID 119211845
(2S,3S)-3-methyl-2-[(3-methyl-2-oxopentanoyl)amino]pentanamide
CID 167869588
(2S)-3-methyl-2-(3-methylbutanoylamino)pentanamide
CID 87725663
(1R)-N-[(1S)-1-(1-adamantyl)ethyl]-2,2-dichlorocyclopropane-1-carboxamide
CID 7929494
methyl (2S,3R)-2-[[(1R,2R)-2-[[(2S,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]carbamoyl]cyclopentanecarbonyl]amino]-3-methylpentanoate
CID 174067701
methyl (2S,3S)-3-methyl-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]pentanoate
CID 124824414
(2S,3S)-2-[(3,3-difluorocyclopentanecarbonyl)amino]-3-methylpentanoic acid
CID 114226158
cis-(1S,3R)-3-[[(1S,2S)-1-carboxy-2-methylbutyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065140
(1S)-2,2-dichloro-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide
CID 139058748

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methyl-1-oxopentan-2-yl)-2,2-dichlorocyclopropane-1-carboxamide?
The IUPAC name of N-(1-amino-3-methyl-1-oxopentan-2-yl)-2,2-dichlorocyclopropane-1-carboxamide (CID 78790829) is N-(1-amino-3-methyl-1-oxopentan-2-yl)-2,2-dichlorocyclopropane-1-carboxamide.
What is the SMILES notation for N-(1-amino-3-methyl-1-oxopentan-2-yl)-2,2-dichlorocyclopropane-1-carboxamide?
The canonical SMILES for N-(1-amino-3-methyl-1-oxopentan-2-yl)-2,2-dichlorocyclopropane-1-carboxamide is CCC(C)C(NC(=O)C1CC1(Cl)Cl)C(N)=O.
What is the InChIKey of N-(1-amino-3-methyl-1-oxopentan-2-yl)-2,2-dichlorocyclopropane-1-carboxamide?
The InChIKey is AHVUWQKDYLGSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Cl2N2O2/c1-3-5(2)7(8(13)15)14-9(16)6-4-10(6,11)12/h5-7H,3-4H2,1-2H3,(H2,13,15)(H,14,16).
What are the key properties of N-(1-amino-3-methyl-1-oxopentan-2-yl)-2,2-dichlorocyclopropane-1-carboxamide?
N-(1-amino-3-methyl-1-oxopentan-2-yl)-2,2-dichlorocyclopropane-1-carboxamide has a molecular weight of 267.16 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methyl-1-oxopentan-2-yl)-2,2-dichlorocyclopropane-1-carboxamide is sourced from PubChem (CID 78790829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).