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

C12H21NO2 — CID 43774214

IUPAC2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)acetic acid
SMILESO=C(O)CNC1CCC2CCCCC2C1
InChIInChI=1S/C12H21NO2/c14-12(15)8-13-11-6-5-9-3-1-2-4-10(9)7-11/h9-11,13H,1-8H2,(H,14,15)
InChIKeyITRUXMQPFKZVCT-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.02
Rot. Bonds3

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

2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)acetic acid (PubChem CID 43774214) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)acetic acid.

Molecular Properties

Compound Name2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)acetic acid
PubChem CID43774214
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)acetic acid
SMILESO=C(O)CNC1CCC2CCCCC2C1
InChIInChI=1S/C12H21NO2/c14-12(15)8-13-11-6-5-9-3-1-2-4-10(9)7-11/h9-11,13H,1-8H2,(H,14,15)
InChIKeyITRUXMQPFKZVCT-UHFFFAOYSA-N
XLogP2.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-Cyclohexylethyl)amino]acetic acid
CID 43774211
2-[(4-Propan-2-ylcyclohexyl)amino]acetic acid
CID 17935532
2-(1,2,3,4,4a,5,6,7,8,8a-Decahydronaphthalen-1-ylamino)propanoic acid
CID 18695234
(2S)-2-[(4-cyclohexylcyclohexyl)amino]propanoic acid
CID 20794994
Methyl 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylamino)acetate
CID 21242529
2-(1,2,3,4,4a,5,6,7,8,8a-Decahydronaphthalen-1-ylamino)acetic acid
CID 21252071
2-[(4-Methylcyclohexyl)amino]acetic acid
CID 23221771
2-(1-Cyclohexylbutylamino)acetic acid
CID 53764268
(2S)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylamino)propanoic acid
CID 54297958
2-(1,2,3,4,4a,5,6,7,8,8a-Decahydronaphthalen-2-ylamino)pentanoic acid
CID 69168820
2-[[(2S)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]amino]pentanoic acid
CID 69168823
methyl N-(decahydro-1-naphthalenyl)glycine
CID 70377605

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)acetic acid?
The IUPAC name of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)acetic acid (CID 43774214) is 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)acetic acid.
What is the SMILES notation for 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)acetic acid?
The canonical SMILES for 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)acetic acid is O=C(O)CNC1CCC2CCCCC2C1.
What is the InChIKey of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)acetic acid?
The InChIKey is ITRUXMQPFKZVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c14-12(15)8-13-11-6-5-9-3-1-2-4-10(9)7-11/h9-11,13H,1-8H2,(H,14,15).
What are the key properties of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)acetic acid?
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)acetic acid has a molecular weight of 211.30 g/mol, XLogP of 2.02, 3 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)acetic acid is sourced from PubChem (CID 43774214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).