2-(cyclopropylamino)-2-methyl-4-(1,3-oxazol-2-ylsulfanyl)pentanoic acid

C12H18N2O3S — CID 106924844

IUPAC2-(cyclopropylamino)-2-methyl-4-(1,3-oxazol-2-ylsulfanyl)pentanoic acid
SMILESCC(CC(C)(NC1CC1)C(=O)O)Sc1ncco1
InChIInChI=1S/C12H18N2O3S/c1-8(18-11-13-5-6-17-11)7-12(2,10(15)16)14-9-3-4-9/h5-6,8-9,14H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyXCFJGUWEWSJNLN-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.14
Rot. Bonds7

About 2-(cyclopropylamino)-2-methyl-4-(1,3-oxazol-2-ylsulfanyl)pentanoic acid

2-(cyclopropylamino)-2-methyl-4-(1,3-oxazol-2-ylsulfanyl)pentanoic acid (PubChem CID 106924844) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-4-(1,3-oxazol-2-ylsulfanyl)pentanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-4-(1,3-oxazol-2-ylsulfanyl)pentanoic acid
PubChem CID106924844
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-(cyclopropylamino)-2-methyl-4-(1,3-oxazol-2-ylsulfanyl)pentanoic acid
SMILESCC(CC(C)(NC1CC1)C(=O)O)Sc1ncco1
InChIInChI=1S/C12H18N2O3S/c1-8(18-11-13-5-6-17-11)7-12(2,10(15)16)14-9-3-4-9/h5-6,8-9,14H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyXCFJGUWEWSJNLN-UHFFFAOYSA-N
XLogP2.14
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopropylamino)-2-methyl-6-(1,3-oxazol-2-ylsulfanyl)hexanoic acid
CID 106924995
2-methyl-2-(methylamino)-4-(1,3-oxazol-2-ylsulfanyl)pentanamide
CID 106925063
4-[(5-chloro-2-pyridinyl)sulfanyl]-2-(cyclopropylamino)-2-methylpentanoic acid
CID 64704367
2-(cyclopropylamino)-2-methyl-4-methylsulfanylpentanoic acid
CID 64710146
methyl 2-(cyclopropylamino)-2-methyl-4-(1-methylimidazol-2-yl)sulfanylpentanoate
CID 64710648
4-cyclohexylsulfanyl-2-(cyclopropylamino)-2-methylpentanoic acid
CID 64711886
ethyl 2-(cyclopropylamino)-2-methyl-6-(1,3-oxazol-2-ylsulfanyl)hexanoate
CID 106924832
2-(cyclopropylamino)-3-(1,3-oxazol-2-ylsulfanyl)-2-phenylpropanoic acid
CID 106925024
methyl 2-(cyclopropylamino)-2-methyl-4-(1-methylpyrazol-4-yl)sulfanylpentanoate
CID 64705687
methyl 2-(cyclopropylamino)-2-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)pentanoate
CID 64709876
4-(4-bromopyrazol-1-yl)-2-(cyclopropylamino)-2-methylpentanoic acid
CID 64705445
2-cyclopropyl-2-(1,3-oxazol-2-ylsulfanyl)acetic acid
CID 106920740

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-4-(1,3-oxazol-2-ylsulfanyl)pentanoic acid?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-4-(1,3-oxazol-2-ylsulfanyl)pentanoic acid (CID 106924844) is 2-(cyclopropylamino)-2-methyl-4-(1,3-oxazol-2-ylsulfanyl)pentanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-4-(1,3-oxazol-2-ylsulfanyl)pentanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-4-(1,3-oxazol-2-ylsulfanyl)pentanoic acid is CC(CC(C)(NC1CC1)C(=O)O)Sc1ncco1.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-4-(1,3-oxazol-2-ylsulfanyl)pentanoic acid?
The InChIKey is XCFJGUWEWSJNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-8(18-11-13-5-6-17-11)7-12(2,10(15)16)14-9-3-4-9/h5-6,8-9,14H,3-4,7H2,1-2H3,(H,15,16).
What are the key properties of 2-(cyclopropylamino)-2-methyl-4-(1,3-oxazol-2-ylsulfanyl)pentanoic acid?
2-(cyclopropylamino)-2-methyl-4-(1,3-oxazol-2-ylsulfanyl)pentanoic acid has a molecular weight of 270.35 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-4-(1,3-oxazol-2-ylsulfanyl)pentanoic acid is sourced from PubChem (CID 106924844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).