2-[cyclopropyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid

C10H13N3O4S — CID 114181679

IUPAC2-[cyclopropyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)NCc1csc(=O)[nH]1)C1CC1
InChIInChI=1S/C10H13N3O4S/c14-8(15)4-13(7-1-2-7)9(16)11-3-6-5-18-10(17)12-6/h5,7H,1-4H2,(H,11,16)(H,12,17)(H,14,15)
InChIKeyNQPMMWBXCGZUTF-UHFFFAOYSA-N
MW271.30 g/mol
LogP0.19
Rot. Bonds5

About 2-[cyclopropyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid

2-[cyclopropyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid (PubChem CID 114181679) has the molecular formula C10H13N3O4S and a molecular weight of 271.30 g/mol. Its IUPAC name is 2-[cyclopropyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid
PubChem CID114181679
Molecular FormulaC10H13N3O4S
Molecular Weight271.30 g/mol
Exact Mass271.06
IUPAC Name2-[cyclopropyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)NCc1csc(=O)[nH]1)C1CC1
InChIInChI=1S/C10H13N3O4S/c14-8(15)4-13(7-1-2-7)9(16)11-3-6-5-18-10(17)12-6/h5,7H,1-4H2,(H,11,16)(H,12,17)(H,14,15)
InChIKeyNQPMMWBXCGZUTF-UHFFFAOYSA-N
XLogP0.19
TPSA102.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methylpropyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid
CID 106382782
2-[cyclopropyl-[(5-ethylthiophen-2-yl)methylcarbamoyl]amino]acetic acid
CID 103996026
N-cyclopropyl-N-ethyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetamide
CID 106380848
2-[(4-chlorophenyl)methylcarbamoyl-cyclopropylamino]acetic acid
CID 54978380
2-[[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]acetyl]amino]acetic acid
CID 114181701
2-[1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]cyclobutyl]acetic acid
CID 106382873
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide
CID 106381324
2-methyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 106382844
1-cyclohexyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiourea
CID 106380576
cis-(1R,3S)-2,2-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 106379549
2-[1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]azetidin-3-yl]propanoic acid
CID 114181709
2-[(2-bromophenyl)methylcarbamoyl-cyclopentylamino]acetic acid
CID 61414112

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid (CID 114181679) is 2-[cyclopropyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid is O=C(O)CN(C(=O)NCc1csc(=O)[nH]1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid?
The InChIKey is NQPMMWBXCGZUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4S/c14-8(15)4-13(7-1-2-7)9(16)11-3-6-5-18-10(17)12-6/h5,7H,1-4H2,(H,11,16)(H,12,17)(H,14,15).
What are the key properties of 2-[cyclopropyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid?
2-[cyclopropyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid has a molecular weight of 271.30 g/mol, XLogP of 0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 114181679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).