2-[carboxymethyl-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]acetic acid

C13H16N2O5S — CID 63647136

IUPAC2-[carboxymethyl-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)N(Cc1cccs1)C1CC1
InChIInChI=1S/C13H16N2O5S/c16-11(17)7-14(8-12(18)19)13(20)15(9-3-4-9)6-10-2-1-5-21-10/h1-2,5,9H,3-4,6-8H2,(H,16,17)(H,18,19)
InChIKeyARZFFSCKUPRVOD-UHFFFAOYSA-N
MW312.35 g/mol
LogP1.30
Rot. Bonds7

About 2-[carboxymethyl-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]acetic acid

2-[carboxymethyl-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]acetic acid (PubChem CID 63647136) has the molecular formula C13H16N2O5S and a molecular weight of 312.35 g/mol. Its IUPAC name is 2-[carboxymethyl-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]acetic acid
PubChem CID63647136
Molecular FormulaC13H16N2O5S
Molecular Weight312.35 g/mol
Exact Mass312.08
IUPAC Name2-[carboxymethyl-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)N(Cc1cccs1)C1CC1
InChIInChI=1S/C13H16N2O5S/c16-11(17)7-14(8-12(18)19)13(20)15(9-3-4-9)6-10-2-1-5-21-10/h1-2,5,9H,3-4,6-8H2,(H,16,17)(H,18,19)
InChIKeyARZFFSCKUPRVOD-UHFFFAOYSA-N
XLogP1.30
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79272195
3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-ethylamino]propanoic acid
CID 61449309
3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-ethylamino]-2-methylpropanoic acid
CID 62852847
3-[cyclopropyl-[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 61437782
2-[[3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 122026960
3-tert-butyl-1-cyclopropyl-1-(thiophen-2-ylmethyl)urea
CID 113224633
4-[cyclopropyl(thiophen-2-ylmethyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992646
3-[cyclopropyl-[methyl(thiophen-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 61197167
1-cyclopentyl-3-methyl-3-phenyl-1-(thiophen-2-ylmethyl)urea
CID 150953612
N-cyclopropyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide
CID 52571989
3-amino-N-cyclopropyl-2,2,3-trimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 65269853
(1S,6R)-6-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104962163

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]acetic acid (CID 63647136) is 2-[carboxymethyl-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]acetic acid is O=C(O)CN(CC(=O)O)C(=O)N(Cc1cccs1)C1CC1.
What is the InChIKey of 2-[carboxymethyl-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]acetic acid?
The InChIKey is ARZFFSCKUPRVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5S/c16-11(17)7-14(8-12(18)19)13(20)15(9-3-4-9)6-10-2-1-5-21-10/h1-2,5,9H,3-4,6-8H2,(H,16,17)(H,18,19).
What are the key properties of 2-[carboxymethyl-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]acetic acid?
2-[carboxymethyl-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]acetic acid has a molecular weight of 312.35 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 63647136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).