2-[(4-cyclopropylpiperazine-1-carbonyl)amino]-2-thiophen-2-ylacetic acid

C14H19N3O3S — CID 115285319

IUPAC2-[(4-cyclopropylpiperazine-1-carbonyl)amino]-2-thiophen-2-ylacetic acid
SMILESO=C(O)C(NC(=O)N1CCN(C2CC2)CC1)c1cccs1
InChIInChI=1S/C14H19N3O3S/c18-13(19)12(11-2-1-9-21-11)15-14(20)17-7-5-16(6-8-17)10-3-4-10/h1-2,9-10,12H,3-8H2,(H,15,20)(H,18,19)
InChIKeyUHBAEJSDZACAMR-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.36
Rot. Bonds4

About 2-[(4-cyclopropylpiperazine-1-carbonyl)amino]-2-thiophen-2-ylacetic acid

2-[(4-cyclopropylpiperazine-1-carbonyl)amino]-2-thiophen-2-ylacetic acid (PubChem CID 115285319) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-[(4-cyclopropylpiperazine-1-carbonyl)amino]-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-[(4-cyclopropylpiperazine-1-carbonyl)amino]-2-thiophen-2-ylacetic acid
PubChem CID115285319
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name2-[(4-cyclopropylpiperazine-1-carbonyl)amino]-2-thiophen-2-ylacetic acid
SMILESO=C(O)C(NC(=O)N1CCN(C2CC2)CC1)c1cccs1
InChIInChI=1S/C14H19N3O3S/c18-13(19)12(11-2-1-9-21-11)15-14(20)17-7-5-16(6-8-17)10-3-4-10/h1-2,9-10,12H,3-8H2,(H,15,20)(H,18,19)
InChIKeyUHBAEJSDZACAMR-UHFFFAOYSA-N
XLogP1.36
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115285633
4-(oxan-4-yl)-N-[(1R)-1-thiophen-2-ylpropyl]piperazine-1-carboxamide
CID 124608917
2-[[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]amino]-2-thiophen-2-ylacetic acid
CID 104968052
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonylamino)-2-thiophen-2-ylacetic acid
CID 115285427
2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115285222
2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115285515
4-methyl-N-(1-thiophen-2-ylethyl)piperidine-1-carboxamide
CID 115583183
2-[(2-cyclopentylacetyl)amino]-2-thiophen-2-ylacetic acid
CID 113278582
2-[(2-cyclobutylacetyl)amino]-2-thiophen-2-ylacetic acid
CID 103162098
2-acetamido-2-thiophen-2-ylacetic acid;methane
CID 21485358
2-[[2-(cyclopentylamino)acetyl]amino]-2-thiophen-2-ylacetic acid
CID 115284804
(2R)-2-(oxamoylamino)-2-thiophen-2-ylacetic acid
CID 70554703

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopropylpiperazine-1-carbonyl)amino]-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-[(4-cyclopropylpiperazine-1-carbonyl)amino]-2-thiophen-2-ylacetic acid (CID 115285319) is 2-[(4-cyclopropylpiperazine-1-carbonyl)amino]-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-[(4-cyclopropylpiperazine-1-carbonyl)amino]-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-[(4-cyclopropylpiperazine-1-carbonyl)amino]-2-thiophen-2-ylacetic acid is O=C(O)C(NC(=O)N1CCN(C2CC2)CC1)c1cccs1.
What is the InChIKey of 2-[(4-cyclopropylpiperazine-1-carbonyl)amino]-2-thiophen-2-ylacetic acid?
The InChIKey is UHBAEJSDZACAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c18-13(19)12(11-2-1-9-21-11)15-14(20)17-7-5-16(6-8-17)10-3-4-10/h1-2,9-10,12H,3-8H2,(H,15,20)(H,18,19).
What are the key properties of 2-[(4-cyclopropylpiperazine-1-carbonyl)amino]-2-thiophen-2-ylacetic acid?
2-[(4-cyclopropylpiperazine-1-carbonyl)amino]-2-thiophen-2-ylacetic acid has a molecular weight of 309.39 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopropylpiperazine-1-carbonyl)amino]-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 115285319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).