(2R)-2-amino-3-[1-(cyclopentylamino)-1-oxopropan-2-yl]sulfanyl-3-methylbutanoic acid

C13H24N2O3S — CID 114189225

IUPAC(2R)-2-amino-3-[1-(cyclopentylamino)-1-oxopropan-2-yl]sulfanyl-3-methylbutanoic acid
SMILESCC(SC(C)(C)[C@H](N)C(=O)O)C(=O)NC1CCCC1
InChIInChI=1S/C13H24N2O3S/c1-8(11(16)15-9-6-4-5-7-9)19-13(2,3)10(14)12(17)18/h8-10H,4-7,14H2,1-3H3,(H,15,16)(H,17,18)/t8?,10-/m1/s1
InChIKeyXGEHHQMDKLGIEJ-LHIURRSHSA-N
MW288.41 g/mol
LogP1.36
Rot. Bonds6

About (2R)-2-amino-3-[1-(cyclopentylamino)-1-oxopropan-2-yl]sulfanyl-3-methylbutanoic acid

(2R)-2-amino-3-[1-(cyclopentylamino)-1-oxopropan-2-yl]sulfanyl-3-methylbutanoic acid (PubChem CID 114189225) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is (2R)-2-amino-3-[1-(cyclopentylamino)-1-oxopropan-2-yl]sulfanyl-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[1-(cyclopentylamino)-1-oxopropan-2-yl]sulfanyl-3-methylbutanoic acid
PubChem CID114189225
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name(2R)-2-amino-3-[1-(cyclopentylamino)-1-oxopropan-2-yl]sulfanyl-3-methylbutanoic acid
SMILESCC(SC(C)(C)[C@H](N)C(=O)O)C(=O)NC1CCCC1
InChIInChI=1S/C13H24N2O3S/c1-8(11(16)15-9-6-4-5-7-9)19-13(2,3)10(14)12(17)18/h8-10H,4-7,14H2,1-3H3,(H,15,16)(H,17,18)/t8?,10-/m1/s1
InChIKeyXGEHHQMDKLGIEJ-LHIURRSHSA-N
XLogP1.36
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-2-amino-3-[1-(cyclopentylamino)-1-oxopropan-2-yl]sulfanyl-3-methylbutanoic acid with MolForge

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Related Compounds

(2S)-2-amino-3-methyl-3-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]sulfanylbutanoic acid
CID 106443528
2-amino-3-[1-(cyclohexylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid
CID 43385473
(2R)-2-amino-3-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]sulfanyl-3-methylbutanoic acid
CID 106442698
(2R)-2-amino-N-cyclopentyl-3-hydroxy-3-methylbutanamide
CID 67225078
N-cyclopentyl-2-methylsulfanylpropanamide
CID 126996006
2-(2-aminopropylsulfanyl)-N-cyclopentylpropanamide
CID 66219669
2-[1-(cyclohexylamino)-1-oxopropan-2-yl]sulfanylacetic acid
CID 43082977
2-amino-N-cyclopentyl-2-cyclopropylacetamide
CID 130870089
(2S)-2-amino-N-cyclobutyl-2-cyclohexylacetamide
CID 70337031
(2S)-2-amino-N-cyclopropyl-3,3-dimethylbutanamide;hydrochloride
CID 66951838
N-cyclopentyl-2-(3,3-dimethylbutan-2-ylamino)propanamide
CID 113457776
2-amino-4-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanylbutanoic acid
CID 60930107

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[1-(cyclopentylamino)-1-oxopropan-2-yl]sulfanyl-3-methylbutanoic acid?
The IUPAC name of (2R)-2-amino-3-[1-(cyclopentylamino)-1-oxopropan-2-yl]sulfanyl-3-methylbutanoic acid (CID 114189225) is (2R)-2-amino-3-[1-(cyclopentylamino)-1-oxopropan-2-yl]sulfanyl-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[1-(cyclopentylamino)-1-oxopropan-2-yl]sulfanyl-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-amino-3-[1-(cyclopentylamino)-1-oxopropan-2-yl]sulfanyl-3-methylbutanoic acid is CC(SC(C)(C)[C@H](N)C(=O)O)C(=O)NC1CCCC1.
What is the InChIKey of (2R)-2-amino-3-[1-(cyclopentylamino)-1-oxopropan-2-yl]sulfanyl-3-methylbutanoic acid?
The InChIKey is XGEHHQMDKLGIEJ-LHIURRSHSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-8(11(16)15-9-6-4-5-7-9)19-13(2,3)10(14)12(17)18/h8-10H,4-7,14H2,1-3H3,(H,15,16)(H,17,18)/t8?,10-/m1/s1.
What are the key properties of (2R)-2-amino-3-[1-(cyclopentylamino)-1-oxopropan-2-yl]sulfanyl-3-methylbutanoic acid?
(2R)-2-amino-3-[1-(cyclopentylamino)-1-oxopropan-2-yl]sulfanyl-3-methylbutanoic acid has a molecular weight of 288.41 g/mol, XLogP of 1.36, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[1-(cyclopentylamino)-1-oxopropan-2-yl]sulfanyl-3-methylbutanoic acid is sourced from PubChem (CID 114189225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).