2-[cyclopropylmethyl-[cyclopropyl(thiophen-2-yl)methyl]amino]acetic acid

C14H19NO2S — CID 65054553

IUPAC2-[cyclopropylmethyl-[cyclopropyl(thiophen-2-yl)methyl]amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(c1cccs1)C1CC1
InChIInChI=1S/C14H19NO2S/c16-13(17)9-15(8-10-3-4-10)14(11-5-6-11)12-2-1-7-18-12/h1-2,7,10-11,14H,3-6,8-9H2,(H,16,17)
InChIKeyKIHTZFGBAOZNRC-UHFFFAOYSA-N
MW265.38 g/mol
LogP3.00
Rot. Bonds7

About 2-[cyclopropylmethyl-[cyclopropyl(thiophen-2-yl)methyl]amino]acetic acid

2-[cyclopropylmethyl-[cyclopropyl(thiophen-2-yl)methyl]amino]acetic acid (PubChem CID 65054553) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[cyclopropyl(thiophen-2-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[cyclopropyl(thiophen-2-yl)methyl]amino]acetic acid
PubChem CID65054553
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name2-[cyclopropylmethyl-[cyclopropyl(thiophen-2-yl)methyl]amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(c1cccs1)C1CC1
InChIInChI=1S/C14H19NO2S/c16-13(17)9-15(8-10-3-4-10)14(11-5-6-11)12-2-1-7-18-12/h1-2,7,10-11,14H,3-6,8-9H2,(H,16,17)
InChIKeyKIHTZFGBAOZNRC-UHFFFAOYSA-N
XLogP3.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[carboxymethyl(1-thiophen-2-ylethyl)amino]acetic acid
CID 65065392
2-[cyclopropylmethyl-[1-(3-methylthiophen-2-yl)ethyl]amino]acetic acid
CID 65054956
1-[4-(aminomethyl)cyclohexyl]-N,N-dimethyl-1-thiophen-2-ylmethanamine
CID 24739735
3-(dicyclopropylmethylamino)-3-thiophen-2-ylpropanoic acid
CID 43727742
2-[1-(5-bromothiophen-2-yl)ethyl-(cyclopropylmethyl)amino]acetic acid
CID 65054657
N-[[4-[dimethylamino(thiophen-2-yl)methyl]cyclohexyl]methyl]-2-thiophen-2-ylacetamide
CID 66994303
2-[1-[cyclopropyl(thiophen-2-yl)methyl]piperidin-4-yl]acetic acid
CID 79606463
2-[cyclopropylmethyl-(2-methoxy-1-phenylethyl)amino]acetic acid
CID 103466165
2-[1-(4-bromophenyl)propan-2-yl-(cyclopropylmethyl)amino]acetic acid
CID 114081564
2-[cyclopropylmethyl-[1-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid
CID 65055145
2-[1-(4-chlorophenyl)ethyl-(cyclopropylmethyl)amino]acetic acid
CID 65055047
2-[(2-amino-2-thiophen-2-ylacetyl)-methylamino]acetic acid
CID 115286833

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[cyclopropyl(thiophen-2-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[cyclopropyl(thiophen-2-yl)methyl]amino]acetic acid (CID 65054553) is 2-[cyclopropylmethyl-[cyclopropyl(thiophen-2-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[cyclopropyl(thiophen-2-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[cyclopropyl(thiophen-2-yl)methyl]amino]acetic acid is O=C(O)CN(CC1CC1)C(c1cccs1)C1CC1.
What is the InChIKey of 2-[cyclopropylmethyl-[cyclopropyl(thiophen-2-yl)methyl]amino]acetic acid?
The InChIKey is KIHTZFGBAOZNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c16-13(17)9-15(8-10-3-4-10)14(11-5-6-11)12-2-1-7-18-12/h1-2,7,10-11,14H,3-6,8-9H2,(H,16,17).
What are the key properties of 2-[cyclopropylmethyl-[cyclopropyl(thiophen-2-yl)methyl]amino]acetic acid?
2-[cyclopropylmethyl-[cyclopropyl(thiophen-2-yl)methyl]amino]acetic acid has a molecular weight of 265.38 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[cyclopropyl(thiophen-2-yl)methyl]amino]acetic acid is sourced from PubChem (CID 65054553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).