2-[cyclopropylmethyl-[2-(2-fluorophenyl)sulfanylethyl]amino]acetic acid

C14H18FNO2S — CID 43656768

IUPAC2-[cyclopropylmethyl-[2-(2-fluorophenyl)sulfanylethyl]amino]acetic acid
SMILESO=C(O)CN(CCSc1ccccc1F)CC1CC1
InChIInChI=1S/C14H18FNO2S/c15-12-3-1-2-4-13(12)19-8-7-16(10-14(17)18)9-11-5-6-11/h1-4,11H,5-10H2,(H,17,18)
InChIKeyLCZFZRSLVSUKKC-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.71
Rot. Bonds8

About 2-[cyclopropylmethyl-[2-(2-fluorophenyl)sulfanylethyl]amino]acetic acid

2-[cyclopropylmethyl-[2-(2-fluorophenyl)sulfanylethyl]amino]acetic acid (PubChem CID 43656768) has the molecular formula C14H18FNO2S and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[2-(2-fluorophenyl)sulfanylethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[2-(2-fluorophenyl)sulfanylethyl]amino]acetic acid
PubChem CID43656768
Molecular FormulaC14H18FNO2S
Molecular Weight283.37 g/mol
Exact Mass283.10
IUPAC Name2-[cyclopropylmethyl-[2-(2-fluorophenyl)sulfanylethyl]amino]acetic acid
SMILESO=C(O)CN(CCSc1ccccc1F)CC1CC1
InChIInChI=1S/C14H18FNO2S/c15-12-3-1-2-4-13(12)19-8-7-16(10-14(17)18)9-11-5-6-11/h1-4,11H,5-10H2,(H,17,18)
InChIKeyLCZFZRSLVSUKKC-UHFFFAOYSA-N
XLogP2.71
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)sulfanylacetic acid
CID 2740386
3-[cyclopropylmethyl-[(2-fluorophenyl)methyl]amino]propanoic acid
CID 126835331
2-[cyclopropylmethyl-[2-(difluoromethylsulfanyl)benzoyl]amino]acetic acid
CID 43655584
2-[cyclopropylmethyl-[(E)-3-phenylprop-2-enyl]amino]acetic acid
CID 43656590
2-[1-[3-(2-fluorophenyl)sulfanylpropanoyl]azetidin-3-yl]acetic acid
CID 64605784
2-[cyclopropylmethyl(3,3,3-trifluoropropyl)amino]acetic acid
CID 64566526
2-[cyclopropylmethyl-[3-(3-fluoroanilino)-3-oxopropyl]amino]acetic acid
CID 43656451
1-cycloheptyl-2-(2-fluorophenyl)sulfanylethanone
CID 82931688
2-[benzyl(cyclobutylmethyl)amino]acetic acid
CID 119134931
1-[2-(2-fluorophenyl)sulfanylethyl]piperidine-2-carboxylic acid
CID 43441149
2-[cyclopropylmethyl-[2-(diethylamino)ethyl]amino]acetic acid
CID 43656536
2-[[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-(cyclopropylmethyl)amino]acetic acid
CID 43656888

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[2-(2-fluorophenyl)sulfanylethyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[2-(2-fluorophenyl)sulfanylethyl]amino]acetic acid (CID 43656768) is 2-[cyclopropylmethyl-[2-(2-fluorophenyl)sulfanylethyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[2-(2-fluorophenyl)sulfanylethyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[2-(2-fluorophenyl)sulfanylethyl]amino]acetic acid is O=C(O)CN(CCSc1ccccc1F)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl-[2-(2-fluorophenyl)sulfanylethyl]amino]acetic acid?
The InChIKey is LCZFZRSLVSUKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2S/c15-12-3-1-2-4-13(12)19-8-7-16(10-14(17)18)9-11-5-6-11/h1-4,11H,5-10H2,(H,17,18).
What are the key properties of 2-[cyclopropylmethyl-[2-(2-fluorophenyl)sulfanylethyl]amino]acetic acid?
2-[cyclopropylmethyl-[2-(2-fluorophenyl)sulfanylethyl]amino]acetic acid has a molecular weight of 283.37 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[2-(2-fluorophenyl)sulfanylethyl]amino]acetic acid is sourced from PubChem (CID 43656768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).