2-[[(1R,2R)-2-methoxycyclohexyl]amino]acetic acid

C9H17NO3 — CID 93286937

IUPAC2-[[(1R,2R)-2-methoxycyclohexyl]amino]acetic acid
SMILESCO[C@@H]1CCCC[C@H]1NCC(=O)O
InChIInChI=1S/C9H17NO3/c1-13-8-5-3-2-4-7(8)10-6-9(11)12/h7-8,10H,2-6H2,1H3,(H,11,12)/t7-,8-/m1/s1
InChIKeyKDJGKZQHINAHKY-HTQZYQBOSA-N
MW187.24 g/mol
LogP0.62
Rot. Bonds4

About 2-[[(1R,2R)-2-methoxycyclohexyl]amino]acetic acid

2-[[(1R,2R)-2-methoxycyclohexyl]amino]acetic acid (PubChem CID 93286937) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-[[(1R,2R)-2-methoxycyclohexyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(1R,2R)-2-methoxycyclohexyl]amino]acetic acid
PubChem CID93286937
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-[[(1R,2R)-2-methoxycyclohexyl]amino]acetic acid
SMILESCO[C@@H]1CCCC[C@H]1NCC(=O)O
InChIInChI=1S/C9H17NO3/c1-13-8-5-3-2-4-7(8)10-6-9(11)12/h7-8,10H,2-6H2,1H3,(H,11,12)/t7-,8-/m1/s1
InChIKeyKDJGKZQHINAHKY-HTQZYQBOSA-N
XLogP0.62
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2S)-2-Acetamidocyclohexyl acetate
CID 398086
2-[(2-Hydroxycyclohexyl)amino]acetic acid
CID 60886714
(2R)-2-methoxy-N-methylcyclohexan-1-amine;2,2,2-trifluoroacetic acid
CID 161393495
2-(Acetylamino)cyclohexyl acetate
CID 4578094
N,O-Diacetyl-cis-2-aminocyclohexanol
CID 6960608
2-[(2-Hydroxycyclohexyl)amino]propanoic acid
CID 3565027
2-[[(1R,2R)-2-hydroxycyclohexyl]amino]propanoic acid
CID 126477932
2-((2-Methoxyethyl)amino)cyclohexanol
CID 13343836
Cyclohexyl 2-(propan-2-ylamino)propanoate
CID 19362177
2-[(4-Hydroxycyclohexyl)amino]propanoic acid
CID 20247980
Cyclopentyl 2-(cyclohexylamino)propanoate
CID 22671065
cyclopentyl (2S)-2-(cyclohexylamino)propanoate
CID 53762464

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,2R)-2-methoxycyclohexyl]amino]acetic acid?
The IUPAC name of 2-[[(1R,2R)-2-methoxycyclohexyl]amino]acetic acid (CID 93286937) is 2-[[(1R,2R)-2-methoxycyclohexyl]amino]acetic acid.
What is the SMILES notation for 2-[[(1R,2R)-2-methoxycyclohexyl]amino]acetic acid?
The canonical SMILES for 2-[[(1R,2R)-2-methoxycyclohexyl]amino]acetic acid is CO[C@@H]1CCCC[C@H]1NCC(=O)O.
What is the InChIKey of 2-[[(1R,2R)-2-methoxycyclohexyl]amino]acetic acid?
The InChIKey is KDJGKZQHINAHKY-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H17NO3/c1-13-8-5-3-2-4-7(8)10-6-9(11)12/h7-8,10H,2-6H2,1H3,(H,11,12)/t7-,8-/m1/s1.
What are the key properties of 2-[[(1R,2R)-2-methoxycyclohexyl]amino]acetic acid?
2-[[(1R,2R)-2-methoxycyclohexyl]amino]acetic acid has a molecular weight of 187.24 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,2R)-2-methoxycyclohexyl]amino]acetic acid is sourced from PubChem (CID 93286937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).