2-[cyclopropylmethyl-(2-phenylsulfanylacetyl)amino]acetic acid

C14H17NO3S — CID 43655362

IUPAC2-[cyclopropylmethyl-(2-phenylsulfanylacetyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)CSc1ccccc1
InChIInChI=1S/C14H17NO3S/c16-13(10-19-12-4-2-1-3-5-12)15(9-14(17)18)8-11-6-7-11/h1-5,11H,6-10H2,(H,17,18)
InChIKeyYOAGZMAXSCGCOS-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.10
Rot. Bonds7

About 2-[cyclopropylmethyl-(2-phenylsulfanylacetyl)amino]acetic acid

2-[cyclopropylmethyl-(2-phenylsulfanylacetyl)amino]acetic acid (PubChem CID 43655362) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-(2-phenylsulfanylacetyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-(2-phenylsulfanylacetyl)amino]acetic acid
PubChem CID43655362
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Name2-[cyclopropylmethyl-(2-phenylsulfanylacetyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)CSc1ccccc1
InChIInChI=1S/C14H17NO3S/c16-13(10-19-12-4-2-1-3-5-12)15(9-14(17)18)8-11-6-7-11/h1-5,11H,6-10H2,(H,17,18)
InChIKeyYOAGZMAXSCGCOS-UHFFFAOYSA-N
XLogP2.10
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[cyclopropylmethyl-(2-phenylsulfanylacetyl)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-[cyclopropylmethyl(4-phenylsulfanylbutanoyl)amino]acetic acid
CID 43655413
2-[[(2S)-2-amino-2-phenylacetyl]-(cyclopropylmethyl)amino]acetic acid
CID 103869512
2-[(3-amino-2-phenylpropanoyl)-(cyclopropylmethyl)amino]acetic acid
CID 62878549
2-[cyclopropylmethyl-(2-phenylmethoxyacetyl)amino]acetic acid
CID 43655474
2-[carboxymethyl-[2-(4-chlorophenyl)sulfanylacetyl]amino]acetic acid
CID 63650372
N-benzyl-2-(4-hydroxyphenyl)sulfanyl-N-(oxan-4-ylmethyl)acetamide
CID 71855116
2-[cyclopropylmethyl-[2-(2-fluorophenoxy)acetyl]amino]acetic acid
CID 43655608
2-[cyclopropylmethyl-[2-(1H-indol-3-yl)acetyl]amino]acetic acid
CID 43655190
2-[cyclopropylmethyl-[2-(2,6-dimethylphenoxy)acetyl]amino]acetic acid
CID 43655320
2-[carboxymethyl-[2-(4-methoxyphenyl)sulfanylacetyl]amino]acetic acid
CID 63651913
N-ethyl-N-(2-methylprop-2-enyl)-2-phenylsulfanylacetamide
CID 78762330
2-[cyclopropylmethyl-[2-(difluoromethylsulfanyl)benzoyl]amino]acetic acid
CID 43655584

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-(2-phenylsulfanylacetyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-(2-phenylsulfanylacetyl)amino]acetic acid (CID 43655362) is 2-[cyclopropylmethyl-(2-phenylsulfanylacetyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-(2-phenylsulfanylacetyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-(2-phenylsulfanylacetyl)amino]acetic acid is O=C(O)CN(CC1CC1)C(=O)CSc1ccccc1.
What is the InChIKey of 2-[cyclopropylmethyl-(2-phenylsulfanylacetyl)amino]acetic acid?
The InChIKey is YOAGZMAXSCGCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c16-13(10-19-12-4-2-1-3-5-12)15(9-14(17)18)8-11-6-7-11/h1-5,11H,6-10H2,(H,17,18).
What are the key properties of 2-[cyclopropylmethyl-(2-phenylsulfanylacetyl)amino]acetic acid?
2-[cyclopropylmethyl-(2-phenylsulfanylacetyl)amino]acetic acid has a molecular weight of 279.36 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-(2-phenylsulfanylacetyl)amino]acetic acid is sourced from PubChem (CID 43655362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).