2-(1-amino-4-methylcyclohexyl)acetic acid

C9H17NO2 — CID 64664304

IUPAC2-(1-amino-4-methylcyclohexyl)acetic acid
SMILESCC1CCC(N)(CC(=O)O)CC1
InChIInChI=1S/C9H17NO2/c1-7-2-4-9(10,5-3-7)6-8(11)12/h7H,2-6,10H2,1H3,(H,11,12)
InChIKeyNNFMQQHATTUKJC-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.37
Rot. Bonds2

About 2-(1-amino-4-methylcyclohexyl)acetic acid

2-(1-amino-4-methylcyclohexyl)acetic acid (PubChem CID 64664304) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(1-amino-4-methylcyclohexyl)acetic acid.

Molecular Properties

Compound Name2-(1-amino-4-methylcyclohexyl)acetic acid
PubChem CID64664304
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-(1-amino-4-methylcyclohexyl)acetic acid
SMILESCC1CCC(N)(CC(=O)O)CC1
InChIInChI=1S/C9H17NO2/c1-7-2-4-9(10,5-3-7)6-8(11)12/h7H,2-6,10H2,1H3,(H,11,12)
InChIKeyNNFMQQHATTUKJC-UHFFFAOYSA-N
XLogP1.37
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-amino-4-(trifluoromethyl)cyclohexyl]acetic acid
CID 64758784
2-(1-ethenyl-4-methylcyclohexyl)acetic acid
CID 165456909
1-(aminomethyl)-4-methylcyclohexan-1-amine
CID 43519520
2-(4-aminopiperidin-4-yl)acetic acid
CID 18379201
(1-amino-3-methylcyclopentyl)methanol
CID 64516223
2-[(3S)-1-(aminomethyl)-3-methylcyclopentyl]acetic acid
CID 46227593
2-(1-amino-3-tert-butylcyclobutyl)acetic acid
CID 174479770
2-(4-aminopiperidin-4-yl)acetic acid;hydrochloride
CID 138111407
2-(1-amino-4-methylcyclohexyl)acetaldehyde
CID 167728630
2-[1-(azepan-1-yl)-4-methylcyclohexyl]acetic acid
CID 64527329
2-[(1R)-1-amino-2-methylcyclopropyl]acetic acid
CID 171036084
2-(1-amino-3,3-dimethylcyclopentyl)acetic acid
CID 80698917

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-4-methylcyclohexyl)acetic acid?
The IUPAC name of 2-(1-amino-4-methylcyclohexyl)acetic acid (CID 64664304) is 2-(1-amino-4-methylcyclohexyl)acetic acid.
What is the SMILES notation for 2-(1-amino-4-methylcyclohexyl)acetic acid?
The canonical SMILES for 2-(1-amino-4-methylcyclohexyl)acetic acid is CC1CCC(N)(CC(=O)O)CC1.
What is the InChIKey of 2-(1-amino-4-methylcyclohexyl)acetic acid?
The InChIKey is NNFMQQHATTUKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7-2-4-9(10,5-3-7)6-8(11)12/h7H,2-6,10H2,1H3,(H,11,12).
What are the key properties of 2-(1-amino-4-methylcyclohexyl)acetic acid?
2-(1-amino-4-methylcyclohexyl)acetic acid has a molecular weight of 171.24 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-4-methylcyclohexyl)acetic acid is sourced from PubChem (CID 64664304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).