(2R)-2-(cyclopropylamino)-3-pentan-2-ylsulfinylpropanoic acid

C11H21NO3S — CID 146614142

IUPAC(2R)-2-(cyclopropylamino)-3-pentan-2-ylsulfinylpropanoic acid
SMILESCCCC(C)S(=O)C[C@H](NC1CC1)C(=O)O
InChIInChI=1S/C11H21NO3S/c1-3-4-8(2)16(15)7-10(11(13)14)12-9-5-6-9/h8-10,12H,3-7H2,1-2H3,(H,13,14)/t8?,10-,16?/m0/s1
InChIKeyIGWVRQJNOBBTGW-AOUYCFFKSA-N
MW247.36 g/mol
LogP1.13
Rot. Bonds8

About (2R)-2-(cyclopropylamino)-3-pentan-2-ylsulfinylpropanoic acid

(2R)-2-(cyclopropylamino)-3-pentan-2-ylsulfinylpropanoic acid (PubChem CID 146614142) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is (2R)-2-(cyclopropylamino)-3-pentan-2-ylsulfinylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-(cyclopropylamino)-3-pentan-2-ylsulfinylpropanoic acid
PubChem CID146614142
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name(2R)-2-(cyclopropylamino)-3-pentan-2-ylsulfinylpropanoic acid
SMILESCCCC(C)S(=O)C[C@H](NC1CC1)C(=O)O
InChIInChI=1S/C11H21NO3S/c1-3-4-8(2)16(15)7-10(11(13)14)12-9-5-6-9/h8-10,12H,3-7H2,1-2H3,(H,13,14)/t8?,10-,16?/m0/s1
InChIKeyIGWVRQJNOBBTGW-AOUYCFFKSA-N
XLogP1.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)heptanoic acid
CID 43754511
2-(cyclopropylamino)-3-(2-methylpentoxy)propanoic acid
CID 103284916
2-(cyclopropylamino)-4-[propan-2-yl(propyl)amino]butanoic acid
CID 63028053
4-(2-butoxyethoxy)-2-(cyclopropylamino)butanoic acid
CID 63040953
4-[butan-2-yl(methyl)amino]-2-(cyclopropylamino)butanoic acid
CID 63027237
2-(cyclopentylamino)butanoic acid
CID 60998249
(2R)-2-(cyclopropylamino)-3-methylsulfanylpropanoic acid
CID 89492968
4-[butan-2-yl(butyl)amino]-2-(cyclopropylamino)butanoic acid
CID 55145482
2-(cyclopropylamino)-4-methylsulfanylbutanoic acid
CID 60812175
2-(cyclohexylamino)heptanoic acid
CID 60998800
(2R)-2-(cyclopropylcarbamoylamino)pentanoic acid
CID 107564781
2-acetamido-3-butan-2-ylsulfinylpropanoic acid
CID 64583711

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(cyclopropylamino)-3-pentan-2-ylsulfinylpropanoic acid?
The IUPAC name of (2R)-2-(cyclopropylamino)-3-pentan-2-ylsulfinylpropanoic acid (CID 146614142) is (2R)-2-(cyclopropylamino)-3-pentan-2-ylsulfinylpropanoic acid.
What is the SMILES notation for (2R)-2-(cyclopropylamino)-3-pentan-2-ylsulfinylpropanoic acid?
The canonical SMILES for (2R)-2-(cyclopropylamino)-3-pentan-2-ylsulfinylpropanoic acid is CCCC(C)S(=O)C[C@H](NC1CC1)C(=O)O.
What is the InChIKey of (2R)-2-(cyclopropylamino)-3-pentan-2-ylsulfinylpropanoic acid?
The InChIKey is IGWVRQJNOBBTGW-AOUYCFFKSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-3-4-8(2)16(15)7-10(11(13)14)12-9-5-6-9/h8-10,12H,3-7H2,1-2H3,(H,13,14)/t8?,10-,16?/m0/s1.
What are the key properties of (2R)-2-(cyclopropylamino)-3-pentan-2-ylsulfinylpropanoic acid?
(2R)-2-(cyclopropylamino)-3-pentan-2-ylsulfinylpropanoic acid has a molecular weight of 247.36 g/mol, XLogP of 1.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(cyclopropylamino)-3-pentan-2-ylsulfinylpropanoic acid is sourced from PubChem (CID 146614142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).