3-[carboxymethyl-(2-cyclohexylacetyl)amino]-2-methylpropanoic acid

C14H23NO5 — CID 82326124

IUPAC3-[carboxymethyl-(2-cyclohexylacetyl)amino]-2-methylpropanoic acid
SMILESCC(CN(CC(=O)O)C(=O)CC1CCCCC1)C(=O)O
InChIInChI=1S/C14H23NO5/c1-10(14(19)20)8-15(9-13(17)18)12(16)7-11-5-3-2-4-6-11/h10-11H,2-9H2,1H3,(H,17,18)(H,19,20)
InChIKeyNVLOQEBQVVQFLC-UHFFFAOYSA-N
MW285.34 g/mol
LogP1.59
Rot. Bonds7

About 3-[carboxymethyl-(2-cyclohexylacetyl)amino]-2-methylpropanoic acid

3-[carboxymethyl-(2-cyclohexylacetyl)amino]-2-methylpropanoic acid (PubChem CID 82326124) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-[carboxymethyl-(2-cyclohexylacetyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[carboxymethyl-(2-cyclohexylacetyl)amino]-2-methylpropanoic acid
PubChem CID82326124
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Name3-[carboxymethyl-(2-cyclohexylacetyl)amino]-2-methylpropanoic acid
SMILESCC(CN(CC(=O)O)C(=O)CC1CCCCC1)C(=O)O
InChIInChI=1S/C14H23NO5/c1-10(14(19)20)8-15(9-13(17)18)12(16)7-11-5-3-2-4-6-11/h10-11H,2-9H2,1H3,(H,17,18)(H,19,20)
InChIKeyNVLOQEBQVVQFLC-UHFFFAOYSA-N
XLogP1.59
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[carboxymethyl(cyclohexanecarbonyl)amino]-2-methylpropanoic acid
CID 82324207
2-[(2-cyclohexylacetyl)-propan-2-ylamino]acetic acid
CID 60831184
2-cyclopentyl-N,N-bis(2-methylpropyl)acetamide
CID 78797313
2-[butan-2-yl-(2-cyclohexylacetyl)amino]acetic acid
CID 60828230
2-[(2-amino-2-oxoethyl)-(2-cyclobutylacetyl)amino]acetic acid
CID 107434388
2-[(2-cyclohexylacetyl)-methylamino]propanoic acid
CID 62627808
2-[(2-cyclobutylacetyl)-propan-2-ylamino]acetic acid
CID 103925577
2-[(3-cyclopentyl-2-methylpropanoyl)-(2-methylpropyl)amino]acetic acid
CID 119192685
2-[(2-cyclohexylacetyl)-cyclopentylamino]acetic acid
CID 60826296
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-(2-methylpropyl)amino]acetic acid
CID 79615177
2-[(2-cyclopentylacetyl)-methylamino]propanoic acid
CID 62625647
3-[carboxymethyl(cyclopropyl)amino]-2-methylpropanoic acid
CID 82327511

Frequently Asked Questions

What is the IUPAC name of 3-[carboxymethyl-(2-cyclohexylacetyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[carboxymethyl-(2-cyclohexylacetyl)amino]-2-methylpropanoic acid (CID 82326124) is 3-[carboxymethyl-(2-cyclohexylacetyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[carboxymethyl-(2-cyclohexylacetyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[carboxymethyl-(2-cyclohexylacetyl)amino]-2-methylpropanoic acid is CC(CN(CC(=O)O)C(=O)CC1CCCCC1)C(=O)O.
What is the InChIKey of 3-[carboxymethyl-(2-cyclohexylacetyl)amino]-2-methylpropanoic acid?
The InChIKey is NVLOQEBQVVQFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5/c1-10(14(19)20)8-15(9-13(17)18)12(16)7-11-5-3-2-4-6-11/h10-11H,2-9H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 3-[carboxymethyl-(2-cyclohexylacetyl)amino]-2-methylpropanoic acid?
3-[carboxymethyl-(2-cyclohexylacetyl)amino]-2-methylpropanoic acid has a molecular weight of 285.34 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[carboxymethyl-(2-cyclohexylacetyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 82326124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).