2-[acetyl(cyclopropyl)amino]-2-(thiolan-3-yl)acetic acid

C11H17NO3S — CID 107133081

IUPAC2-[acetyl(cyclopropyl)amino]-2-(thiolan-3-yl)acetic acid
SMILESCC(=O)N(C1CC1)C(C(=O)O)C1CCSC1
InChIInChI=1S/C11H17NO3S/c1-7(13)12(9-2-3-9)10(11(14)15)8-4-5-16-6-8/h8-10H,2-6H2,1H3,(H,14,15)
InChIKeyKLOGZUWETBDJCR-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.20
Rot. Bonds4

About 2-[acetyl(cyclopropyl)amino]-2-(thiolan-3-yl)acetic acid

2-[acetyl(cyclopropyl)amino]-2-(thiolan-3-yl)acetic acid (PubChem CID 107133081) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-[acetyl(cyclopropyl)amino]-2-(thiolan-3-yl)acetic acid.

Molecular Properties

Compound Name2-[acetyl(cyclopropyl)amino]-2-(thiolan-3-yl)acetic acid
PubChem CID107133081
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name2-[acetyl(cyclopropyl)amino]-2-(thiolan-3-yl)acetic acid
SMILESCC(=O)N(C1CC1)C(C(=O)O)C1CCSC1
InChIInChI=1S/C11H17NO3S/c1-7(13)12(9-2-3-9)10(11(14)15)8-4-5-16-6-8/h8-10H,2-6H2,1H3,(H,14,15)
InChIKeyKLOGZUWETBDJCR-UHFFFAOYSA-N
XLogP1.20
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl(cyclopropyl)amino]-2-cyclohexylacetic acid
CID 63703998
3-(dimethylamino)-2-(thiolan-3-yl)propanoic acid
CID 117238110
2-[acetyl(cyclopropyl)amino]-3-hydroxypropanoic acid
CID 104711277
2-(ethylamino)-2-(thiolan-3-yl)acetic acid
CID 107132983
2-ethoxy-2-(thiolan-3-yl)acetic acid
CID 107133941
4-hydroxy-3-methyl-4-(thiolan-3-yl)butanoic acid
CID 107133425
methyl 2-(thiolan-3-yl)propanoate
CID 176838406
2-[ethyl(thiolan-3-yl)amino]propanoic acid
CID 121203692
2-cyclobutyl-2-[cyclopropyl(methyl)amino]acetic acid
CID 116857513
(2R)-2-[cyclopropyl(thian-4-yl)amino]butanoic acid
CID 129495494
4,4-difluoro-3-(thiolan-3-yl)butanoic acid
CID 115026877
3-(azepan-1-yl)-2-(thiolan-3-yl)propanoic acid
CID 117238165

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(cyclopropyl)amino]-2-(thiolan-3-yl)acetic acid?
The IUPAC name of 2-[acetyl(cyclopropyl)amino]-2-(thiolan-3-yl)acetic acid (CID 107133081) is 2-[acetyl(cyclopropyl)amino]-2-(thiolan-3-yl)acetic acid.
What is the SMILES notation for 2-[acetyl(cyclopropyl)amino]-2-(thiolan-3-yl)acetic acid?
The canonical SMILES for 2-[acetyl(cyclopropyl)amino]-2-(thiolan-3-yl)acetic acid is CC(=O)N(C1CC1)C(C(=O)O)C1CCSC1.
What is the InChIKey of 2-[acetyl(cyclopropyl)amino]-2-(thiolan-3-yl)acetic acid?
The InChIKey is KLOGZUWETBDJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-7(13)12(9-2-3-9)10(11(14)15)8-4-5-16-6-8/h8-10H,2-6H2,1H3,(H,14,15).
What are the key properties of 2-[acetyl(cyclopropyl)amino]-2-(thiolan-3-yl)acetic acid?
2-[acetyl(cyclopropyl)amino]-2-(thiolan-3-yl)acetic acid has a molecular weight of 243.33 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(cyclopropyl)amino]-2-(thiolan-3-yl)acetic acid is sourced from PubChem (CID 107133081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).