(2R)-2-acetamido-3-[2-(cyclopropylmethylamino)-2-oxoethyl]sulfinylpropanoic acid

C11H18N2O5S — CID 107775688

IUPAC(2R)-2-acetamido-3-[2-(cyclopropylmethylamino)-2-oxoethyl]sulfinylpropanoic acid
SMILESCC(=O)N[C@@H](CS(=O)CC(=O)NCC1CC1)C(=O)O
InChIInChI=1S/C11H18N2O5S/c1-7(14)13-9(11(16)17)5-19(18)6-10(15)12-4-8-2-3-8/h8-9H,2-6H2,1H3,(H,12,15)(H,13,14)(H,16,17)/t9-,19?/m0/s1
InChIKeyNGTPDJRRQMFETC-DUOAPZILSA-N
MW290.34 g/mol
LogP-1.15
Rot. Bonds8

About (2R)-2-acetamido-3-[2-(cyclopropylmethylamino)-2-oxoethyl]sulfinylpropanoic acid

(2R)-2-acetamido-3-[2-(cyclopropylmethylamino)-2-oxoethyl]sulfinylpropanoic acid (PubChem CID 107775688) has the molecular formula C11H18N2O5S and a molecular weight of 290.34 g/mol. Its IUPAC name is (2R)-2-acetamido-3-[2-(cyclopropylmethylamino)-2-oxoethyl]sulfinylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-acetamido-3-[2-(cyclopropylmethylamino)-2-oxoethyl]sulfinylpropanoic acid
PubChem CID107775688
Molecular FormulaC11H18N2O5S
Molecular Weight290.34 g/mol
Exact Mass290.09
IUPAC Name(2R)-2-acetamido-3-[2-(cyclopropylmethylamino)-2-oxoethyl]sulfinylpropanoic acid
SMILESCC(=O)N[C@@H](CS(=O)CC(=O)NCC1CC1)C(=O)O
InChIInChI=1S/C11H18N2O5S/c1-7(14)13-9(11(16)17)5-19(18)6-10(15)12-4-8-2-3-8/h8-9H,2-6H2,1H3,(H,12,15)(H,13,14)(H,16,17)/t9-,19?/m0/s1
InChIKeyNGTPDJRRQMFETC-DUOAPZILSA-N
XLogP-1.15
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-2-acetamido-3-[2-(cyclopropylmethylamino)-2-oxoethyl]sulfinylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-amino-2-methylpropyl)sulfinyl-N-(cyclopropylmethyl)acetamide
CID 81200813
2-acetamido-3-(2-amino-2-oxoethyl)sulfinylpropanoic acid
CID 107768598
(2R)-2-acetamido-3-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]sulfinylpropanoic acid
CID 107775595
(2R)-2-acetamido-3-(oxolan-3-ylmethylsulfinyl)propanoic acid
CID 107775519
(2R)-2-acetamido-3-[2-(azepan-1-yl)-2-oxoethyl]sulfinylpropanoic acid
CID 107775508
2-acetamido-3-(2-ethylbutylsulfinyl)propanoic acid
CID 107768616
2-acetamido-3-(2-methylbutylsulfinyl)propanoic acid
CID 107753296
2-acetamido-3-(3-cyanopropylsulfinyl)propanoic acid
CID 107768721
(2R)-2-acetamido-3-(2-ethoxyethylsulfinyl)propanoic acid
CID 107775540
(2R)-2-acetamido-3-(2-butoxyethylsulfinyl)propanoic acid
CID 114000133
2-acetamido-3-(2-methylsulfanylethylsulfinyl)propanoic acid
CID 107768624
(2R)-2-acetamido-3-(3-amino-3-oxopropyl)sulfinylpropanoic acid
CID 107775462

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-3-[2-(cyclopropylmethylamino)-2-oxoethyl]sulfinylpropanoic acid?
The IUPAC name of (2R)-2-acetamido-3-[2-(cyclopropylmethylamino)-2-oxoethyl]sulfinylpropanoic acid (CID 107775688) is (2R)-2-acetamido-3-[2-(cyclopropylmethylamino)-2-oxoethyl]sulfinylpropanoic acid.
What is the SMILES notation for (2R)-2-acetamido-3-[2-(cyclopropylmethylamino)-2-oxoethyl]sulfinylpropanoic acid?
The canonical SMILES for (2R)-2-acetamido-3-[2-(cyclopropylmethylamino)-2-oxoethyl]sulfinylpropanoic acid is CC(=O)N[C@@H](CS(=O)CC(=O)NCC1CC1)C(=O)O.
What is the InChIKey of (2R)-2-acetamido-3-[2-(cyclopropylmethylamino)-2-oxoethyl]sulfinylpropanoic acid?
The InChIKey is NGTPDJRRQMFETC-DUOAPZILSA-N. The full InChI is InChI=1S/C11H18N2O5S/c1-7(14)13-9(11(16)17)5-19(18)6-10(15)12-4-8-2-3-8/h8-9H,2-6H2,1H3,(H,12,15)(H,13,14)(H,16,17)/t9-,19?/m0/s1.
What are the key properties of (2R)-2-acetamido-3-[2-(cyclopropylmethylamino)-2-oxoethyl]sulfinylpropanoic acid?
(2R)-2-acetamido-3-[2-(cyclopropylmethylamino)-2-oxoethyl]sulfinylpropanoic acid has a molecular weight of 290.34 g/mol, XLogP of -1.15, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-3-[2-(cyclopropylmethylamino)-2-oxoethyl]sulfinylpropanoic acid is sourced from PubChem (CID 107775688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).