2-[ethyl(thiolan-3-yl)amino]propanoic acid

C9H17NO2S — CID 121203692

IUPAC2-[ethyl(thiolan-3-yl)amino]propanoic acid
SMILESCCN(C1CCSC1)C(C)C(=O)O
InChIInChI=1S/C9H17NO2S/c1-3-10(7(2)9(11)12)8-4-5-13-6-8/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyRJBLWVVWHWQSDQ-UHFFFAOYSA-N
MW203.31 g/mol
LogP1.29
Rot. Bonds4

About 2-[ethyl(thiolan-3-yl)amino]propanoic acid

2-[ethyl(thiolan-3-yl)amino]propanoic acid (PubChem CID 121203692) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 2-[ethyl(thiolan-3-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[ethyl(thiolan-3-yl)amino]propanoic acid
PubChem CID121203692
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name2-[ethyl(thiolan-3-yl)amino]propanoic acid
SMILESCCN(C1CCSC1)C(C)C(=O)O
InChIInChI=1S/C9H17NO2S/c1-3-10(7(2)9(11)12)8-4-5-13-6-8/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyRJBLWVVWHWQSDQ-UHFFFAOYSA-N
XLogP1.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[ethyl(thiolan-3-yl)amino]cyclohexane-1-carboxylic acid
CID 121203716
2-[(1,1-dioxothiolan-3-yl)-ethylamino]propanoic acid
CID 20986140
(2R)-2-amino-N-ethyl-N-[(3S)-thiolan-3-yl]propanamide
CID 129496555
N-methyl-N-(thiolan-3-yl)propanamide
CID 64591456
N-ethyl-N-propan-2-ylthian-3-amine
CID 127009584
ethane;2-[ethyl-(1-ethylazetidin-3-yl)amino]propanoic acid
CID 142538582
4-[methyl(thiolan-3-yl)amino]pentanoic acid
CID 62215066
2-[cyclopropyl(propyl)amino]propanoic acid
CID 43270597
3-[ethyl(thian-3-yl)amino]-2-methylpropanoic acid
CID 65062096
6-[methyl(thiolan-3-yl)amino]hexan-3-one
CID 106801314
2-[ethyl-[methyl(thiolan-3-yl)carbamoyl]amino]acetic acid
CID 61198741
2-[cyclopropyl(ethyl)amino]-4-methylpentan-3-one
CID 77400027

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(thiolan-3-yl)amino]propanoic acid?
The IUPAC name of 2-[ethyl(thiolan-3-yl)amino]propanoic acid (CID 121203692) is 2-[ethyl(thiolan-3-yl)amino]propanoic acid.
What is the SMILES notation for 2-[ethyl(thiolan-3-yl)amino]propanoic acid?
The canonical SMILES for 2-[ethyl(thiolan-3-yl)amino]propanoic acid is CCN(C1CCSC1)C(C)C(=O)O.
What is the InChIKey of 2-[ethyl(thiolan-3-yl)amino]propanoic acid?
The InChIKey is RJBLWVVWHWQSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-3-10(7(2)9(11)12)8-4-5-13-6-8/h7-8H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 2-[ethyl(thiolan-3-yl)amino]propanoic acid?
2-[ethyl(thiolan-3-yl)amino]propanoic acid has a molecular weight of 203.31 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(thiolan-3-yl)amino]propanoic acid is sourced from PubChem (CID 121203692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).