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

C11H18N2O3S — CID 54978899

IUPAC2-[cyclopropyl-[methyl(thiolan-3-yl)carbamoyl]amino]acetic acid
SMILESCN(C(=O)N(CC(=O)O)C1CC1)C1CCSC1
InChIInChI=1S/C11H18N2O3S/c1-12(9-4-5-17-7-9)11(16)13(6-10(14)15)8-2-3-8/h8-9H,2-7H2,1H3,(H,14,15)
InChIKeyVBYPPAGGIKDDSY-UHFFFAOYSA-N
MW258.34 g/mol
LogP1.09
Rot. Bonds4

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

2-[cyclopropyl-[methyl(thiolan-3-yl)carbamoyl]amino]acetic acid (PubChem CID 54978899) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-[cyclopropyl-[methyl(thiolan-3-yl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[methyl(thiolan-3-yl)carbamoyl]amino]acetic acid
PubChem CID54978899
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name2-[cyclopropyl-[methyl(thiolan-3-yl)carbamoyl]amino]acetic acid
SMILESCN(C(=O)N(CC(=O)O)C1CC1)C1CCSC1
InChIInChI=1S/C11H18N2O3S/c1-12(9-4-5-17-7-9)11(16)13(6-10(14)15)8-2-3-8/h8-9H,2-7H2,1H3,(H,14,15)
InChIKeyVBYPPAGGIKDDSY-UHFFFAOYSA-N
XLogP1.09
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl-[methyl(thiolan-3-yl)carbamoyl]amino]acetic acid
CID 61198741
2-[[methyl(thiolan-3-yl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265952
N-methyl-N-(thiolan-3-yl)propanamide
CID 64591456
4-[[methyl(thiolan-3-yl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61197986
N-methyl-3-oxo-N-(thiolan-3-yl)butanamide
CID 43296752
2-[[2-[[methyl(thiolan-3-yl)carbamoyl]amino]acetyl]amino]acetic acid
CID 61199681
2-[1-[methyl(thiolan-3-yl)carbamoyl]piperidin-4-yl]acetic acid
CID 79608336
2-hydroxy-N,2-dimethyl-N-(thiolan-3-yl)propanamide
CID 103429486
(2R)-2-amino-N-methyl-N-[(3S)-thiolan-3-yl]propanamide
CID 93279074
N-methyl-4-(methylamino)-N-(thiolan-3-yl)butanamide
CID 60842926
1-[methyl(thiolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096737
2-[methyl(thiolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60791236

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[methyl(thiolan-3-yl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[methyl(thiolan-3-yl)carbamoyl]amino]acetic acid (CID 54978899) is 2-[cyclopropyl-[methyl(thiolan-3-yl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[methyl(thiolan-3-yl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[methyl(thiolan-3-yl)carbamoyl]amino]acetic acid is CN(C(=O)N(CC(=O)O)C1CC1)C1CCSC1.
What is the InChIKey of 2-[cyclopropyl-[methyl(thiolan-3-yl)carbamoyl]amino]acetic acid?
The InChIKey is VBYPPAGGIKDDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-12(9-4-5-17-7-9)11(16)13(6-10(14)15)8-2-3-8/h8-9H,2-7H2,1H3,(H,14,15).
What are the key properties of 2-[cyclopropyl-[methyl(thiolan-3-yl)carbamoyl]amino]acetic acid?
2-[cyclopropyl-[methyl(thiolan-3-yl)carbamoyl]amino]acetic acid has a molecular weight of 258.34 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[methyl(thiolan-3-yl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 54978899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).