2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentanoic acid

C15H27NO2 — CID 69168820

IUPAC2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentanoic acid
SMILESCCCC(NC1CCC2CCCCC2C1)C(=O)O
InChIInChI=1S/C15H27NO2/c1-2-5-14(15(17)18)16-13-9-8-11-6-3-4-7-12(11)10-13/h11-14,16H,2-10H2,1H3,(H,17,18)
InChIKeyQKBGYULGNHKMIT-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.19
Rot. Bonds5

About 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentanoic acid

2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentanoic acid (PubChem CID 69168820) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentanoic acid.

Molecular Properties

Compound Name2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentanoic acid
PubChem CID69168820
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentanoic acid
SMILESCCCC(NC1CCC2CCCCC2C1)C(=O)O
InChIInChI=1S/C15H27NO2/c1-2-5-14(15(17)18)16-13-9-8-11-6-3-4-7-12(11)10-13/h11-14,16H,2-10H2,1H3,(H,17,18)
InChIKeyQKBGYULGNHKMIT-UHFFFAOYSA-N
XLogP3.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentanoic acid?
The IUPAC name of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentanoic acid (CID 69168820) is 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentanoic acid.
What is the SMILES notation for 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentanoic acid?
The canonical SMILES for 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentanoic acid is CCCC(NC1CCC2CCCCC2C1)C(=O)O.
What is the InChIKey of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentanoic acid?
The InChIKey is QKBGYULGNHKMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-2-5-14(15(17)18)16-13-9-8-11-6-3-4-7-12(11)10-13/h11-14,16H,2-10H2,1H3,(H,17,18).
What are the key properties of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentanoic acid?
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentanoic acid has a molecular weight of 253.39 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentanoic acid is sourced from PubChem (CID 69168820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).