(2R)-2-amino-3-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]sulfanylpropanoic acid

C11H19N3O4S — CID 61142278

IUPAC(2R)-2-amino-3-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]sulfanylpropanoic acid
SMILESCN(CC(=O)NC1CC1)C(=O)CSC[C@H](N)C(=O)O
InChIInChI=1S/C11H19N3O4S/c1-14(4-9(15)13-7-2-3-7)10(16)6-19-5-8(12)11(17)18/h7-8H,2-6,12H2,1H3,(H,13,15)(H,17,18)/t8-/m0/s1
InChIKeyUPOAKBDIYVRHML-QMMMGPOBSA-N
MW289.36 g/mol
LogP-1.13
Rot. Bonds8

About (2R)-2-amino-3-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]sulfanylpropanoic acid

(2R)-2-amino-3-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]sulfanylpropanoic acid (PubChem CID 61142278) has the molecular formula C11H19N3O4S and a molecular weight of 289.36 g/mol. Its IUPAC name is (2R)-2-amino-3-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]sulfanylpropanoic acid
PubChem CID61142278
Molecular FormulaC11H19N3O4S
Molecular Weight289.36 g/mol
Exact Mass289.11
IUPAC Name(2R)-2-amino-3-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]sulfanylpropanoic acid
SMILESCN(CC(=O)NC1CC1)C(=O)CSC[C@H](N)C(=O)O
InChIInChI=1S/C11H19N3O4S/c1-14(4-9(15)13-7-2-3-7)10(16)6-19-5-8(12)11(17)18/h7-8H,2-6,12H2,1H3,(H,13,15)(H,17,18)/t8-/m0/s1
InChIKeyUPOAKBDIYVRHML-QMMMGPOBSA-N
XLogP-1.13
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-2-amino-3-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]sulfanylpropanoic acid with MolForge

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Related Compounds

N-cyclopropyl-2-[[2-(2,3-dihydroxypropylsulfanyl)acetyl]-methylamino]acetamide
CID 79682428
2-amino-3-[2-(cyclopentylamino)-2-oxoethyl]sulfanylpropanoic acid
CID 43176432
(2S)-2-amino-3-[3-(cyclopropylamino)-3-oxopropyl]sulfanylpropanoic acid
CID 107773263
(2R)-2-amino-3-[2-[ethyl(methyl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 61141256
2-amino-3-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]sulfanylpropanoic acid
CID 43385362
N-cyclopropyl-2-[[2-(1-hydroxypropan-2-ylsulfanyl)acetyl]-methylamino]acetamide
CID 112695476
[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] N'-aminocarbamimidothioate
CID 77061118
(2R)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
CID 78972028
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide
CID 43579629
2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-3-methylbutanoic acid
CID 43468758
2-[4-(1-aminoethyl)piperidin-1-yl]-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylacetamide
CID 63595362
2-[[2-[bis(2-hydroxyethyl)amino]acetyl]-methylamino]-N-cyclopropylacetamide
CID 60686591

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]sulfanylpropanoic acid?
The IUPAC name of (2R)-2-amino-3-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]sulfanylpropanoic acid (CID 61142278) is (2R)-2-amino-3-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-amino-3-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]sulfanylpropanoic acid is CN(CC(=O)NC1CC1)C(=O)CSC[C@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]sulfanylpropanoic acid?
The InChIKey is UPOAKBDIYVRHML-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H19N3O4S/c1-14(4-9(15)13-7-2-3-7)10(16)6-19-5-8(12)11(17)18/h7-8H,2-6,12H2,1H3,(H,13,15)(H,17,18)/t8-/m0/s1.
What are the key properties of (2R)-2-amino-3-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]sulfanylpropanoic acid?
(2R)-2-amino-3-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]sulfanylpropanoic acid has a molecular weight of 289.36 g/mol, XLogP of -1.13, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]sulfanylpropanoic acid is sourced from PubChem (CID 61142278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).