methyl 2-amino-5-cyclopropyl-4,4-difluoro-2-(methylamino)pentanoate

C10H18F2N2O2 — CID 123616080

IUPACmethyl 2-amino-5-cyclopropyl-4,4-difluoro-2-(methylamino)pentanoate
SMILESCNC(N)(CC(F)(F)CC1CC1)C(=O)OC
InChIInChI=1S/C10H18F2N2O2/c1-14-10(13,8(15)16-2)6-9(11,12)5-7-3-4-7/h7,14H,3-6,13H2,1-2H3
InChIKeySJAXKCKGZKKTNK-UHFFFAOYSA-N
MW236.26 g/mol
LogP0.86
Rot. Bonds6

About methyl 2-amino-5-cyclopropyl-4,4-difluoro-2-(methylamino)pentanoate

methyl 2-amino-5-cyclopropyl-4,4-difluoro-2-(methylamino)pentanoate (PubChem CID 123616080) has the molecular formula C10H18F2N2O2 and a molecular weight of 236.26 g/mol. Its IUPAC name is methyl 2-amino-5-cyclopropyl-4,4-difluoro-2-(methylamino)pentanoate.

Molecular Properties

Compound Namemethyl 2-amino-5-cyclopropyl-4,4-difluoro-2-(methylamino)pentanoate
PubChem CID123616080
Molecular FormulaC10H18F2N2O2
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Namemethyl 2-amino-5-cyclopropyl-4,4-difluoro-2-(methylamino)pentanoate
SMILESCNC(N)(CC(F)(F)CC1CC1)C(=O)OC
InChIInChI=1S/C10H18F2N2O2/c1-14-10(13,8(15)16-2)6-9(11,12)5-7-3-4-7/h7,14H,3-6,13H2,1-2H3
InChIKeySJAXKCKGZKKTNK-UHFFFAOYSA-N
XLogP0.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(aminomethyl)-3-cyclopropyl-2-methylpropanoate
CID 106487865
methyl 2-(aminomethyl)-2-(cyclopropylmethyl)butanoate
CID 106489911
methyl 2,2-difluoro-3-(oxan-4-yl)propanoate
CID 105461465
methyl 2-(aminomethyl)-2-(cyclopropylmethyl)heptanoate
CID 106489994
1-N-(cyclopropylmethyl)-2-methylpropane-1,2-diamine
CID 61264893
tert-butyl 2-amino-3-cyclopropyl-2-methylpropanoate
CID 90204397
(1-cyclopropyl-2-methylpropan-2-yl) 2,2,2-trifluoroacetate
CID 149076499
methyl 2-(aminomethyl)-2-(cyclopropylmethyl)-4-propoxybutanoate
CID 106489904
methyl 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(1,3-thiazol-2-yl)propanoate
CID 106489927
methyl N-[4-(2,2-dimethylpropyl)cyclohexyl]carbamate
CID 168760317
2-(cyclopropylmethyl)-3-hydroxy-2-methoxypropanamide
CID 134570812
methyl 2-amino-2-cyclohexyl-3-fluoropropanoate
CID 105455426

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-cyclopropyl-4,4-difluoro-2-(methylamino)pentanoate?
The IUPAC name of methyl 2-amino-5-cyclopropyl-4,4-difluoro-2-(methylamino)pentanoate (CID 123616080) is methyl 2-amino-5-cyclopropyl-4,4-difluoro-2-(methylamino)pentanoate.
What is the SMILES notation for methyl 2-amino-5-cyclopropyl-4,4-difluoro-2-(methylamino)pentanoate?
The canonical SMILES for methyl 2-amino-5-cyclopropyl-4,4-difluoro-2-(methylamino)pentanoate is CNC(N)(CC(F)(F)CC1CC1)C(=O)OC.
What is the InChIKey of methyl 2-amino-5-cyclopropyl-4,4-difluoro-2-(methylamino)pentanoate?
The InChIKey is SJAXKCKGZKKTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O2/c1-14-10(13,8(15)16-2)6-9(11,12)5-7-3-4-7/h7,14H,3-6,13H2,1-2H3.
What are the key properties of methyl 2-amino-5-cyclopropyl-4,4-difluoro-2-(methylamino)pentanoate?
methyl 2-amino-5-cyclopropyl-4,4-difluoro-2-(methylamino)pentanoate has a molecular weight of 236.26 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-cyclopropyl-4,4-difluoro-2-(methylamino)pentanoate is sourced from PubChem (CID 123616080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).