2-[(2-amino-2-oxoethyl)-[(5-ethylthiophen-2-yl)methylcarbamoyl]amino]acetic acid

C12H17N3O4S — CID 106005640

IUPAC2-[(2-amino-2-oxoethyl)-[(5-ethylthiophen-2-yl)methylcarbamoyl]amino]acetic acid
SMILESCCc1ccc(CNC(=O)N(CC(N)=O)CC(=O)O)s1
InChIInChI=1S/C12H17N3O4S/c1-2-8-3-4-9(20-8)5-14-12(19)15(6-10(13)16)7-11(17)18/h3-4H,2,5-7H2,1H3,(H2,13,16)(H,14,19)(H,17,18)
InChIKeyCFPZFMLWAKDRNL-UHFFFAOYSA-N
MW299.35 g/mol
LogP0.39
Rot. Bonds7

About 2-[(2-amino-2-oxoethyl)-[(5-ethylthiophen-2-yl)methylcarbamoyl]amino]acetic acid

2-[(2-amino-2-oxoethyl)-[(5-ethylthiophen-2-yl)methylcarbamoyl]amino]acetic acid (PubChem CID 106005640) has the molecular formula C12H17N3O4S and a molecular weight of 299.35 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[(5-ethylthiophen-2-yl)methylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[(5-ethylthiophen-2-yl)methylcarbamoyl]amino]acetic acid
PubChem CID106005640
Molecular FormulaC12H17N3O4S
Molecular Weight299.35 g/mol
Exact Mass299.09
IUPAC Name2-[(2-amino-2-oxoethyl)-[(5-ethylthiophen-2-yl)methylcarbamoyl]amino]acetic acid
SMILESCCc1ccc(CNC(=O)N(CC(N)=O)CC(=O)O)s1
InChIInChI=1S/C12H17N3O4S/c1-2-8-3-4-9(20-8)5-14-12(19)15(6-10(13)16)7-11(17)18/h3-4H,2,5-7H2,1H3,(H2,13,16)(H,14,19)(H,17,18)
InChIKeyCFPZFMLWAKDRNL-UHFFFAOYSA-N
XLogP0.39
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[ethyl-[(5-ethylthiophen-2-yl)methylcarbamoyl]amino]propanoic acid
CID 106005415
2-[tert-butyl-[(5-ethylthiophen-2-yl)methylcarbamoyl]amino]acetic acid
CID 106005579
2-[cyclopropyl-[(5-ethylthiophen-2-yl)methylcarbamoyl]amino]acetic acid
CID 103996026
3-[ethyl-[(5-ethylthiophen-2-yl)methylcarbamoyl]amino]butanoic acid
CID 106005581
4-[(5-ethylthiophen-2-yl)methylcarbamoyl-methylamino]butanoic acid
CID 106005533
2-[(2-amino-2-oxoethyl)-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid
CID 107438329
2-[(2-amino-2-oxoethyl)-(1,3-thiazol-4-ylmethylcarbamoyl)amino]acetic acid
CID 107438781
2-[(2-amino-2-oxoethyl)-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]amino]acetic acid
CID 107438527
2-[(2-amino-2-oxoethyl)-[(3-methyl-2-pyridinyl)methylcarbamoyl]amino]acetic acid
CID 107438737
2-[ethyl-(5-ethylthiophene-2-carbonyl)amino]acetic acid
CID 61021518
4-[(5-ethylthiophen-2-yl)methylcarbamoyl-propan-2-ylamino]butanoic acid
CID 106005647
2-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-methylpropanamide
CID 103630100

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[(5-ethylthiophen-2-yl)methylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[(5-ethylthiophen-2-yl)methylcarbamoyl]amino]acetic acid (CID 106005640) is 2-[(2-amino-2-oxoethyl)-[(5-ethylthiophen-2-yl)methylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[(5-ethylthiophen-2-yl)methylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[(5-ethylthiophen-2-yl)methylcarbamoyl]amino]acetic acid is CCc1ccc(CNC(=O)N(CC(N)=O)CC(=O)O)s1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[(5-ethylthiophen-2-yl)methylcarbamoyl]amino]acetic acid?
The InChIKey is CFPZFMLWAKDRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4S/c1-2-8-3-4-9(20-8)5-14-12(19)15(6-10(13)16)7-11(17)18/h3-4H,2,5-7H2,1H3,(H2,13,16)(H,14,19)(H,17,18).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[(5-ethylthiophen-2-yl)methylcarbamoyl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[(5-ethylthiophen-2-yl)methylcarbamoyl]amino]acetic acid has a molecular weight of 299.35 g/mol, XLogP of 0.39, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-[(5-ethylthiophen-2-yl)methylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 106005640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).