2-[cyclopropyl-[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]acetic acid

C14H20F3NO3 — CID 120517533

IUPAC2-[cyclopropyl-[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)CC1CCC(C(F)(F)F)CC1)C1CC1
InChIInChI=1S/C14H20F3NO3/c15-14(16,17)10-3-1-9(2-4-10)7-12(19)18(8-13(20)21)11-5-6-11/h9-11H,1-8H2,(H,20,21)
InChIKeyDVWJFNXLAKILIB-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.82
Rot. Bonds5

About 2-[cyclopropyl-[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]acetic acid

2-[cyclopropyl-[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]acetic acid (PubChem CID 120517533) has the molecular formula C14H20F3NO3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]acetic acid
PubChem CID120517533
Molecular FormulaC14H20F3NO3
Molecular Weight307.31 g/mol
Exact Mass307.14
IUPAC Name2-[cyclopropyl-[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)CC1CCC(C(F)(F)F)CC1)C1CC1
InChIInChI=1S/C14H20F3NO3/c15-14(16,17)10-3-1-9(2-4-10)7-12(19)18(8-13(20)21)11-5-6-11/h9-11H,1-8H2,(H,20,21)
InChIKeyDVWJFNXLAKILIB-UHFFFAOYSA-N
XLogP2.82
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-cyclohexylacetyl)-cyclopentylamino]acetic acid
CID 60826296
2-[carboxymethyl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid
CID 65065934
N-cyclopropyl-N-methyl-2-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 75502533
2-[3-cyclohexylpropanoyl(cyclopropyl)amino]acetic acid
CID 54946141
ethyl 2-[cyclopropyl-(2-cyclopropylacetyl)amino]acetate
CID 55150352
N-ethyl-N-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 162576485
N,2-dicyclopropyl-N-(2-hydroxyethyl)acetamide
CID 43576624
2-[cyclopentyl-[2-(cyclopropylmethylamino)acetyl]amino]acetic acid
CID 61162082
2-[4-cyclohexylbutanoyl(cyclopentyl)amino]acetic acid
CID 60825422
3-[(2-cyclohexylacetyl)-cyclopentylamino]propanoic acid
CID 82326104
7-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]heptanoic acid
CID 120524020
2-[(2-tert-butylsulfonylacetyl)-cyclopropylamino]acetic acid
CID 120517721

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]acetic acid (CID 120517533) is 2-[cyclopropyl-[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]acetic acid is O=C(O)CN(C(=O)CC1CCC(C(F)(F)F)CC1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]acetic acid?
The InChIKey is DVWJFNXLAKILIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO3/c15-14(16,17)10-3-1-9(2-4-10)7-12(19)18(8-13(20)21)11-5-6-11/h9-11H,1-8H2,(H,20,21).
What are the key properties of 2-[cyclopropyl-[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]acetic acid?
2-[cyclopropyl-[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]acetic acid has a molecular weight of 307.31 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]acetic acid is sourced from PubChem (CID 120517533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).