2-[propan-2-yl(thiolan-3-ylmethyl)amino]acetic acid

C10H19NO2S — CID 107133659

IUPAC2-[propan-2-yl(thiolan-3-ylmethyl)amino]acetic acid
SMILESCC(C)N(CC(=O)O)CC1CCSC1
InChIInChI=1S/C10H19NO2S/c1-8(2)11(6-10(12)13)5-9-3-4-14-7-9/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyZEEHOOZDMCQEEP-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.53
Rot. Bonds5

About 2-[propan-2-yl(thiolan-3-ylmethyl)amino]acetic acid

2-[propan-2-yl(thiolan-3-ylmethyl)amino]acetic acid (PubChem CID 107133659) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 2-[propan-2-yl(thiolan-3-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[propan-2-yl(thiolan-3-ylmethyl)amino]acetic acid
PubChem CID107133659
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name2-[propan-2-yl(thiolan-3-ylmethyl)amino]acetic acid
SMILESCC(C)N(CC(=O)O)CC1CCSC1
InChIInChI=1S/C10H19NO2S/c1-8(2)11(6-10(12)13)5-9-3-4-14-7-9/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyZEEHOOZDMCQEEP-UHFFFAOYSA-N
XLogP1.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(dimethylamino)ethyl-(thiolan-3-ylmethyl)amino]acetic acid
CID 107426123
2-[(3,3-difluorocyclobutyl)methyl-propan-2-ylamino]acetic acid
CID 167948584
2-[(1-acetylpiperidin-4-yl)methyl-propan-2-ylamino]acetic acid
CID 66565406
2-[[(3R)-1-acetylpyrrolidin-3-yl]methyl-propan-2-ylamino]acetic acid
CID 96553143
1-[cyclopropylmethyl(propan-2-yl)amino]-3-methylbutan-2-one
CID 79396006
3-methyl-2-(thiolan-3-ylmethyl)butanoic acid
CID 115022743
2-[tert-butyl(thiolan-3-ylmethylcarbamoyl)amino]acetic acid
CID 107297379
2-[(1-acetylpyrrolidin-2-yl)methyl-propan-2-ylamino]acetic acid
CID 66565397
1-(thiolan-3-yl)propan-2-one
CID 82651393
N-(cyclopropylmethyl)-N-(thiomorpholin-3-ylmethyl)propan-2-amine
CID 82915861
2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 61488998
4-[ethyl(thiolan-3-ylmethyl)amino]oxolane-3-carboxylic acid
CID 107133723

Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl(thiolan-3-ylmethyl)amino]acetic acid?
The IUPAC name of 2-[propan-2-yl(thiolan-3-ylmethyl)amino]acetic acid (CID 107133659) is 2-[propan-2-yl(thiolan-3-ylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[propan-2-yl(thiolan-3-ylmethyl)amino]acetic acid?
The canonical SMILES for 2-[propan-2-yl(thiolan-3-ylmethyl)amino]acetic acid is CC(C)N(CC(=O)O)CC1CCSC1.
What is the InChIKey of 2-[propan-2-yl(thiolan-3-ylmethyl)amino]acetic acid?
The InChIKey is ZEEHOOZDMCQEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-8(2)11(6-10(12)13)5-9-3-4-14-7-9/h8-9H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 2-[propan-2-yl(thiolan-3-ylmethyl)amino]acetic acid?
2-[propan-2-yl(thiolan-3-ylmethyl)amino]acetic acid has a molecular weight of 217.33 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl(thiolan-3-ylmethyl)amino]acetic acid is sourced from PubChem (CID 107133659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).