2,2-dimethyl-4-(spiro[4.5]decan-4-ylamino)butanoic acid

C16H29NO2 — CID 122084464

IUPAC2,2-dimethyl-4-(spiro[4.5]decan-4-ylamino)butanoic acid
SMILESCC(C)(CCNC1CCCC12CCCCC2)C(=O)O
InChIInChI=1S/C16H29NO2/c1-15(2,14(18)19)11-12-17-13-7-6-10-16(13)8-4-3-5-9-16/h13,17H,3-12H2,1-2H3,(H,18,19)
InChIKeyLWVQMDPNPYBWAE-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.58
Rot. Bonds5

About 2,2-dimethyl-4-(spiro[4.5]decan-4-ylamino)butanoic acid

2,2-dimethyl-4-(spiro[4.5]decan-4-ylamino)butanoic acid (PubChem CID 122084464) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 2,2-dimethyl-4-(spiro[4.5]decan-4-ylamino)butanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-(spiro[4.5]decan-4-ylamino)butanoic acid
PubChem CID122084464
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name2,2-dimethyl-4-(spiro[4.5]decan-4-ylamino)butanoic acid
SMILESCC(C)(CCNC1CCCC12CCCCC2)C(=O)O
InChIInChI=1S/C16H29NO2/c1-15(2,14(18)19)11-12-17-13-7-6-10-16(13)8-4-3-5-9-16/h13,17H,3-12H2,1-2H3,(H,18,19)
InChIKeyLWVQMDPNPYBWAE-UHFFFAOYSA-N
XLogP3.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(spiro[4.5]decan-4-ylamino)butanoic acid?
The IUPAC name of 2,2-dimethyl-4-(spiro[4.5]decan-4-ylamino)butanoic acid (CID 122084464) is 2,2-dimethyl-4-(spiro[4.5]decan-4-ylamino)butanoic acid.
What is the SMILES notation for 2,2-dimethyl-4-(spiro[4.5]decan-4-ylamino)butanoic acid?
The canonical SMILES for 2,2-dimethyl-4-(spiro[4.5]decan-4-ylamino)butanoic acid is CC(C)(CCNC1CCCC12CCCCC2)C(=O)O.
What is the InChIKey of 2,2-dimethyl-4-(spiro[4.5]decan-4-ylamino)butanoic acid?
The InChIKey is LWVQMDPNPYBWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-15(2,14(18)19)11-12-17-13-7-6-10-16(13)8-4-3-5-9-16/h13,17H,3-12H2,1-2H3,(H,18,19).
What are the key properties of 2,2-dimethyl-4-(spiro[4.5]decan-4-ylamino)butanoic acid?
2,2-dimethyl-4-(spiro[4.5]decan-4-ylamino)butanoic acid has a molecular weight of 267.41 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(spiro[4.5]decan-4-ylamino)butanoic acid is sourced from PubChem (CID 122084464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).