(2S)-2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoro-2-methylpentanoic acid

C14H22F2N2O3 — CID 66660868

IUPAC(2S)-2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoro-2-methylpentanoic acid
SMILESCC(F)(F)C[C@](C)(NC(=O)N1CCC2(CC1)CC2)C(=O)O
InChIInChI=1S/C14H22F2N2O3/c1-12(10(19)20,9-13(2,15)16)17-11(21)18-7-5-14(3-4-14)6-8-18/h3-9H2,1-2H3,(H,17,21)(H,19,20)/t12-/m0/s1
InChIKeyNIRZAWRUAXXSNP-LBPRGKRZSA-N
MW304.34 g/mol
LogP2.46
Rot. Bonds4

About (2S)-2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoro-2-methylpentanoic acid

(2S)-2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoro-2-methylpentanoic acid (PubChem CID 66660868) has the molecular formula C14H22F2N2O3 and a molecular weight of 304.34 g/mol. Its IUPAC name is (2S)-2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoro-2-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoro-2-methylpentanoic acid
PubChem CID66660868
Molecular FormulaC14H22F2N2O3
Molecular Weight304.34 g/mol
Exact Mass304.16
IUPAC Name(2S)-2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoro-2-methylpentanoic acid
SMILESCC(F)(F)C[C@](C)(NC(=O)N1CCC2(CC1)CC2)C(=O)O
InChIInChI=1S/C14H22F2N2O3/c1-12(10(19)20,9-13(2,15)16)17-11(21)18-7-5-14(3-4-14)6-8-18/h3-9H2,1-2H3,(H,17,21)(H,19,20)/t12-/m0/s1
InChIKeyNIRZAWRUAXXSNP-LBPRGKRZSA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoro-2-methylpentanoic acid with MolForge

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Related Compounds

Methyl (S)-2-[(6-azaspiro[2.5]octane-6-carbonyl)amino]-4,4-difluoropentanoate
CID 57946179
(S)-2-[(6-azaspiro[2.5]octane-6-carbonyl)amino]-4,4-difluoropentanoic acid
CID 57946293
(2S)-2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluorohexanoic acid
CID 66660866
Methyl 2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoropentanoate
CID 66660867
(S)-2-[(3-Azaspiro[5.5]undecane-3-carbonyl)amino]-4,4-difluoropentanoic acid
CID 66661172
2-(3-Azaspiro[5.5]undecane-3-carbonylamino)-4,4-difluoropentanoic acid
CID 66661173
2-(6-Azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoropentanoic acid
CID 66661299
(2S)-2-[(4-ethylpiperidine-1-carbonyl)amino]-4,4-difluoropentanoic acid
CID 68165702
(2S)-2-[(6-azaspiro[2.5]octane-6-carbonylamino)methyl]-4,4-difluoropentanoic acid
CID 150587724
(2S)-4,4-difluoro-2-[2-(1-propylcyclopropyl)ethylcarbamoylamino]pentanoic acid
CID 163846929
2-Cyclopropyl-2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
CID 55009559
2-[[Ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpentanoic acid
CID 55009850

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoro-2-methylpentanoic acid?
The IUPAC name of (2S)-2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoro-2-methylpentanoic acid (CID 66660868) is (2S)-2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoro-2-methylpentanoic acid.
What is the SMILES notation for (2S)-2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoro-2-methylpentanoic acid?
The canonical SMILES for (2S)-2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoro-2-methylpentanoic acid is CC(F)(F)C[C@](C)(NC(=O)N1CCC2(CC1)CC2)C(=O)O.
What is the InChIKey of (2S)-2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoro-2-methylpentanoic acid?
The InChIKey is NIRZAWRUAXXSNP-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22F2N2O3/c1-12(10(19)20,9-13(2,15)16)17-11(21)18-7-5-14(3-4-14)6-8-18/h3-9H2,1-2H3,(H,17,21)(H,19,20)/t12-/m0/s1.
What are the key properties of (2S)-2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoro-2-methylpentanoic acid?
(2S)-2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoro-2-methylpentanoic acid has a molecular weight of 304.34 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoro-2-methylpentanoic acid is sourced from PubChem (CID 66660868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).