2-[3-(carbamoylamino)thiolan-2-yl]pentanoic acid

C10H18N2O3S — CID 139920777

IUPAC2-[3-(carbamoylamino)thiolan-2-yl]pentanoic acid
SMILESCCCC(C(=O)O)C1SCCC1NC(N)=O
InChIInChI=1S/C10H18N2O3S/c1-2-3-6(9(13)14)8-7(4-5-16-8)12-10(11)15/h6-8H,2-5H2,1H3,(H,13,14)(H3,11,12,15)
InChIKeyKMMVAXDUNRQCQO-UHFFFAOYSA-N
MW246.33 g/mol
LogP1.03
Rot. Bonds5

About 2-[3-(carbamoylamino)thiolan-2-yl]pentanoic acid

2-[3-(carbamoylamino)thiolan-2-yl]pentanoic acid (PubChem CID 139920777) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is 2-[3-(carbamoylamino)thiolan-2-yl]pentanoic acid.

Molecular Properties

Compound Name2-[3-(carbamoylamino)thiolan-2-yl]pentanoic acid
PubChem CID139920777
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name2-[3-(carbamoylamino)thiolan-2-yl]pentanoic acid
SMILESCCCC(C(=O)O)C1SCCC1NC(N)=O
InChIInChI=1S/C10H18N2O3S/c1-2-3-6(9(13)14)8-7(4-5-16-8)12-10(11)15/h6-8H,2-5H2,1H3,(H,13,14)(H3,11,12,15)
InChIKeyKMMVAXDUNRQCQO-UHFFFAOYSA-N
XLogP1.03
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(carbamoylamino)thiolan-2-yl]pentanoic acid?
The IUPAC name of 2-[3-(carbamoylamino)thiolan-2-yl]pentanoic acid (CID 139920777) is 2-[3-(carbamoylamino)thiolan-2-yl]pentanoic acid.
What is the SMILES notation for 2-[3-(carbamoylamino)thiolan-2-yl]pentanoic acid?
The canonical SMILES for 2-[3-(carbamoylamino)thiolan-2-yl]pentanoic acid is CCCC(C(=O)O)C1SCCC1NC(N)=O.
What is the InChIKey of 2-[3-(carbamoylamino)thiolan-2-yl]pentanoic acid?
The InChIKey is KMMVAXDUNRQCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-2-3-6(9(13)14)8-7(4-5-16-8)12-10(11)15/h6-8H,2-5H2,1H3,(H,13,14)(H3,11,12,15).
What are the key properties of 2-[3-(carbamoylamino)thiolan-2-yl]pentanoic acid?
2-[3-(carbamoylamino)thiolan-2-yl]pentanoic acid has a molecular weight of 246.33 g/mol, XLogP of 1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(carbamoylamino)thiolan-2-yl]pentanoic acid is sourced from PubChem (CID 139920777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).