(2S)-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]propanoic acid

C15H27NO4 — CID 119943112

IUPAC(2S)-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]propanoic acid
SMILESCC1CCC(C(C)C)C(OCC(=O)N[C@@H](C)C(=O)O)C1
InChIInChI=1S/C15H27NO4/c1-9(2)12-6-5-10(3)7-13(12)20-8-14(17)16-11(4)15(18)19/h9-13H,5-8H2,1-4H3,(H,16,17)(H,18,19)/t10?,11-,12?,13?/m0/s1
InChIKeyBEAXAGZPTLTAGT-ZNOXQBFJSA-N
MW285.38 g/mol
LogP2.05
Rot. Bonds6

About (2S)-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]propanoic acid

(2S)-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]propanoic acid (PubChem CID 119943112) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is (2S)-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]propanoic acid
PubChem CID119943112
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name(2S)-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]propanoic acid
SMILESCC1CCC(C(C)C)C(OCC(=O)N[C@@H](C)C(=O)O)C1
InChIInChI=1S/C15H27NO4/c1-9(2)12-6-5-10(3)7-13(12)20-8-14(17)16-11(4)15(18)19/h9-13H,5-8H2,1-4H3,(H,16,17)(H,18,19)/t10?,11-,12?,13?/m0/s1
InChIKeyBEAXAGZPTLTAGT-ZNOXQBFJSA-N
XLogP2.05
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]propanoic acid with MolForge

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Related Compounds

2-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide
CID 68536872
2-[(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetic acid
CID 25277154
2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl chloride
CID 12543931
3-methyl-1-[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxybutan-2-one
CID 130410144
2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetate
CID 7164421
N-[2-(methylamino)propyl]-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide
CID 120829592
(2S)-2-[[2-[(1R,2R)-2-methylcyclohexyl]oxyacetyl]amino]propanoic acid
CID 124689400
(2R)-2-[[2-[(1R,2S)-2-methylcyclohexyl]oxyacetyl]amino]propanoic acid
CID 124693399
N-[2-[bis(2-methylpropyl)amino]ethyl]-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide
CID 59992252
3-[methyl-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]propanoic acid
CID 119362785
2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-phenylethanone
CID 43798246
N-(2-hydroxyethyl)-N-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide
CID 19762372

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]propanoic acid (CID 119943112) is (2S)-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]propanoic acid is CC1CCC(C(C)C)C(OCC(=O)N[C@@H](C)C(=O)O)C1.
What is the InChIKey of (2S)-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]propanoic acid?
The InChIKey is BEAXAGZPTLTAGT-ZNOXQBFJSA-N. The full InChI is InChI=1S/C15H27NO4/c1-9(2)12-6-5-10(3)7-13(12)20-8-14(17)16-11(4)15(18)19/h9-13H,5-8H2,1-4H3,(H,16,17)(H,18,19)/t10?,11-,12?,13?/m0/s1.
What are the key properties of (2S)-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]propanoic acid?
(2S)-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]propanoic acid has a molecular weight of 285.38 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]propanoic acid is sourced from PubChem (CID 119943112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).