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

C9H17NO2 — CID 57462435

IUPAC(2S)-2-amino-2-(4-methylcyclohexyl)acetic acid
SMILESCC1CCC([C@H](N)C(=O)O)CC1
InChIInChI=1S/C9H17NO2/c1-6-2-4-7(5-3-6)8(10)9(11)12/h6-8H,2-5,10H2,1H3,(H,11,12)/t6?,7?,8-/m0/s1
InChIKeyUDUKPAOWJOMUSX-RRQHEKLDSA-N
MW171.24 g/mol
LogP1.22
Rot. Bonds2

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

(2S)-2-amino-2-(4-methylcyclohexyl)acetic acid (PubChem CID 57462435) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (2S)-2-amino-2-(4-methylcyclohexyl)acetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-(4-methylcyclohexyl)acetic acid
PubChem CID57462435
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(2S)-2-amino-2-(4-methylcyclohexyl)acetic acid
SMILESCC1CCC([C@H](N)C(=O)O)CC1
InChIInChI=1S/C9H17NO2/c1-6-2-4-7(5-3-6)8(10)9(11)12/h6-8H,2-5,10H2,1H3,(H,11,12)/t6?,7?,8-/m0/s1
InChIKeyUDUKPAOWJOMUSX-RRQHEKLDSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-amino-2-(4-methylcyclohexyl)acetate
CID 64747912
(2R)-2-(4-methylcyclohexyl)propanoic acid
CID 96631531
2-amino-2-hydroxyacetic acid;methylcyclopropane
CID 67301072
carbamic acid;1-methyl-4-propan-2-ylcyclohexane
CID 67059714
(2S)-2-amino-3-(4-methylcyclohexyl)propanoic acid
CID 59382839
(2S)-2-amino-N-cyclobutyl-N-methyl-2-(4-methylcyclohexyl)acetamide
CID 70337039
amino-(4-methylcyclohexyl)methanol
CID 89201512
1-amino-1-cyclopropylpropan-2-one
CID 54079114
2-amino-3-methylbutanoic acid;methylcyclopropane
CID 66778248
2-aminoacetic acid;(2S)-2-amino-2-cyclopentylacetic acid
CID 157474717
2-hydroxy-2-(4-methylcycloheptyl)acetic acid
CID 66289030
2-amino-2-(5-methyloxolan-3-yl)acetic acid
CID 170558301

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(4-methylcyclohexyl)acetic acid?
The IUPAC name of (2S)-2-amino-2-(4-methylcyclohexyl)acetic acid (CID 57462435) is (2S)-2-amino-2-(4-methylcyclohexyl)acetic acid.
What is the SMILES notation for (2S)-2-amino-2-(4-methylcyclohexyl)acetic acid?
The canonical SMILES for (2S)-2-amino-2-(4-methylcyclohexyl)acetic acid is CC1CCC([C@H](N)C(=O)O)CC1.
What is the InChIKey of (2S)-2-amino-2-(4-methylcyclohexyl)acetic acid?
The InChIKey is UDUKPAOWJOMUSX-RRQHEKLDSA-N. The full InChI is InChI=1S/C9H17NO2/c1-6-2-4-7(5-3-6)8(10)9(11)12/h6-8H,2-5,10H2,1H3,(H,11,12)/t6?,7?,8-/m0/s1.
What are the key properties of (2S)-2-amino-2-(4-methylcyclohexyl)acetic acid?
(2S)-2-amino-2-(4-methylcyclohexyl)acetic acid has a molecular weight of 171.24 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(4-methylcyclohexyl)acetic acid is sourced from PubChem (CID 57462435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).