2-[[(2S)-2-[(1R,3R)-3-methylcyclohexyl]oxypropanoyl]amino]acetic acid

C12H21NO4 — CID 124689895

IUPAC2-[[(2S)-2-[(1R,3R)-3-methylcyclohexyl]oxypropanoyl]amino]acetic acid
SMILESC[C@@H]1CCC[C@@H](O[C@@H](C)C(=O)NCC(=O)O)C1
InChIInChI=1S/C12H21NO4/c1-8-4-3-5-10(6-8)17-9(2)12(16)13-7-11(14)15/h8-10H,3-7H2,1-2H3,(H,13,16)(H,14,15)/t8-,9+,10-/m1/s1
InChIKeyBEVLLMAPQBPWET-KXUCPTDWSA-N
MW243.30 g/mol
LogP1.17
Rot. Bonds5

About 2-[[(2S)-2-[(1R,3R)-3-methylcyclohexyl]oxypropanoyl]amino]acetic acid

2-[[(2S)-2-[(1R,3R)-3-methylcyclohexyl]oxypropanoyl]amino]acetic acid (PubChem CID 124689895) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-[[(2S)-2-[(1R,3R)-3-methylcyclohexyl]oxypropanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-2-[(1R,3R)-3-methylcyclohexyl]oxypropanoyl]amino]acetic acid
PubChem CID124689895
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name2-[[(2S)-2-[(1R,3R)-3-methylcyclohexyl]oxypropanoyl]amino]acetic acid
SMILESC[C@@H]1CCC[C@@H](O[C@@H](C)C(=O)NCC(=O)O)C1
InChIInChI=1S/C12H21NO4/c1-8-4-3-5-10(6-8)17-9(2)12(16)13-7-11(14)15/h8-10H,3-7H2,1-2H3,(H,13,16)(H,14,15)/t8-,9+,10-/m1/s1
InChIKeyBEVLLMAPQBPWET-KXUCPTDWSA-N
XLogP1.17
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[(2S)-2-[(1R,3R)-3-methylcyclohexyl]oxypropanoyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(2S)-2-[(1S,3R)-3-methylcyclohexyl]oxypropanoyl]amino]acetic acid
CID 124690180
(2S)-N-cycloheptyl-2-[(1R,3R)-3-methylcyclohexyl]oxypropanamide
CID 99808546
(2S)-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[(2S)-3-oxo-4-phenylbutan-2-yl]propanamide
CID 97238760
(2R)-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[(2R)-3-oxo-4-phenylbutan-2-yl]propanamide
CID 98852285
(2R)-N-(2,4-dioxoimidazolidin-1-yl)-2-[(1S,3R)-3-methylcyclohexyl]oxypropanamide
CID 100631617
N-(2,4-dioxoimidazolidin-1-yl)-2-(3-methylcyclohexyl)oxypropanamide
CID 102557399
(2R)-2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]propanamide
CID 99104158
2-[(3-methylcyclohexyl)carbamoylamino]acetic acid
CID 43445727
2-(3-methylcyclohexyl)oxy-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]propanamide
CID 56791501
2-(3-aminocyclohexyl)oxy-N-propan-2-ylpropanamide
CID 79465179
N-methyl-2-(3-methylcyclohexyl)oxy-N-(2-phenylethyl)propanamide
CID 86960738
2-(2-cyclohexyloxybutanoylamino)acetic acid
CID 119350338

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-[(1R,3R)-3-methylcyclohexyl]oxypropanoyl]amino]acetic acid?
The IUPAC name of 2-[[(2S)-2-[(1R,3R)-3-methylcyclohexyl]oxypropanoyl]amino]acetic acid (CID 124689895) is 2-[[(2S)-2-[(1R,3R)-3-methylcyclohexyl]oxypropanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[(2S)-2-[(1R,3R)-3-methylcyclohexyl]oxypropanoyl]amino]acetic acid?
The canonical SMILES for 2-[[(2S)-2-[(1R,3R)-3-methylcyclohexyl]oxypropanoyl]amino]acetic acid is C[C@@H]1CCC[C@@H](O[C@@H](C)C(=O)NCC(=O)O)C1.
What is the InChIKey of 2-[[(2S)-2-[(1R,3R)-3-methylcyclohexyl]oxypropanoyl]amino]acetic acid?
The InChIKey is BEVLLMAPQBPWET-KXUCPTDWSA-N. The full InChI is InChI=1S/C12H21NO4/c1-8-4-3-5-10(6-8)17-9(2)12(16)13-7-11(14)15/h8-10H,3-7H2,1-2H3,(H,13,16)(H,14,15)/t8-,9+,10-/m1/s1.
What are the key properties of 2-[[(2S)-2-[(1R,3R)-3-methylcyclohexyl]oxypropanoyl]amino]acetic acid?
2-[[(2S)-2-[(1R,3R)-3-methylcyclohexyl]oxypropanoyl]amino]acetic acid has a molecular weight of 243.30 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-[(1R,3R)-3-methylcyclohexyl]oxypropanoyl]amino]acetic acid is sourced from PubChem (CID 124689895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).