2-(cyclopropylamino)-3-(oxolan-2-ylmethylsulfanyl)propanoic acid

C11H19NO3S — CID 106495612

IUPAC2-(cyclopropylamino)-3-(oxolan-2-ylmethylsulfanyl)propanoic acid
SMILESO=C(O)C(CSCC1CCCO1)NC1CC1
InChIInChI=1S/C11H19NO3S/c13-11(14)10(12-8-3-4-8)7-16-6-9-2-1-5-15-9/h8-10,12H,1-7H2,(H,13,14)
InChIKeyRGWIBXGAXRBMOS-UHFFFAOYSA-N
MW245.34 g/mol
LogP1.10
Rot. Bonds7

About 2-(cyclopropylamino)-3-(oxolan-2-ylmethylsulfanyl)propanoic acid

2-(cyclopropylamino)-3-(oxolan-2-ylmethylsulfanyl)propanoic acid (PubChem CID 106495612) has the molecular formula C11H19NO3S and a molecular weight of 245.34 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-(oxolan-2-ylmethylsulfanyl)propanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-(oxolan-2-ylmethylsulfanyl)propanoic acid
PubChem CID106495612
Molecular FormulaC11H19NO3S
Molecular Weight245.34 g/mol
Exact Mass245.11
IUPAC Name2-(cyclopropylamino)-3-(oxolan-2-ylmethylsulfanyl)propanoic acid
SMILESO=C(O)C(CSCC1CCCO1)NC1CC1
InChIInChI=1S/C11H19NO3S/c13-11(14)10(12-8-3-4-8)7-16-6-9-2-1-5-15-9/h8-10,12H,1-7H2,(H,13,14)
InChIKeyRGWIBXGAXRBMOS-UHFFFAOYSA-N
XLogP1.10
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(cyclopropylamino)-3-methylsulfanylpropanoic acid
CID 89492968
2-(cyclopropylamino)-4-(oxolan-2-ylmethylsulfanyl)butan-1-ol
CID 106497539
(2S)-2-[[(2R)-oxolan-2-yl]methylsulfanylmethyl]oxolane
CID 129402242
(E)-4-(oxolan-2-ylmethylsulfanyl)but-2-enoic acid
CID 106493630
1-(oxolan-2-ylmethylsulfanyl)butan-2-ol
CID 103579647
3-(oxolan-2-yl)-2-(oxolan-2-ylmethyl)propanoic acid
CID 14391738
2-(cyclopropylamino)-3-(oxetan-3-ylsulfanyl)propanoic acid
CID 79326126
3-methyl-4-(oxolan-2-ylmethylsulfanyl)but-2-enoic acid
CID 106493580
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(2R)-oxolan-2-yl]propanoic acid
CID 155819333
2-cyclopropyl-2-(cyclopropylamino)-3-(oxolan-2-ylmethylsulfanyl)propanamide
CID 106495681
(2S)-2-[[(2R)-oxolan-2-yl]methylamino]butanoic acid
CID 30030430
methyl 2-(methylamino)-4-(oxolan-2-ylmethylsulfanyl)butanoate
CID 106495709

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-(oxolan-2-ylmethylsulfanyl)propanoic acid?
The IUPAC name of 2-(cyclopropylamino)-3-(oxolan-2-ylmethylsulfanyl)propanoic acid (CID 106495612) is 2-(cyclopropylamino)-3-(oxolan-2-ylmethylsulfanyl)propanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-3-(oxolan-2-ylmethylsulfanyl)propanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-3-(oxolan-2-ylmethylsulfanyl)propanoic acid is O=C(O)C(CSCC1CCCO1)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-3-(oxolan-2-ylmethylsulfanyl)propanoic acid?
The InChIKey is RGWIBXGAXRBMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S/c13-11(14)10(12-8-3-4-8)7-16-6-9-2-1-5-15-9/h8-10,12H,1-7H2,(H,13,14).
What are the key properties of 2-(cyclopropylamino)-3-(oxolan-2-ylmethylsulfanyl)propanoic acid?
2-(cyclopropylamino)-3-(oxolan-2-ylmethylsulfanyl)propanoic acid has a molecular weight of 245.34 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-(oxolan-2-ylmethylsulfanyl)propanoic acid is sourced from PubChem (CID 106495612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).