4-[(2R)-2-aminopentanoyl]thiomorpholine-3-carboxylic acid

C10H18N2O3S — CID 107570416

IUPAC4-[(2R)-2-aminopentanoyl]thiomorpholine-3-carboxylic acid
SMILESCCC[C@@H](N)C(=O)N1CCSCC1C(=O)O
InChIInChI=1S/C10H18N2O3S/c1-2-3-7(11)9(13)12-4-5-16-6-8(12)10(14)15/h7-8H,2-6,11H2,1H3,(H,14,15)/t7-,8?/m1/s1
InChIKeyKQLBHBITSLWWIC-GVHYBUMESA-N
MW246.33 g/mol
LogP0.14
Rot. Bonds4

About 4-[(2R)-2-aminopentanoyl]thiomorpholine-3-carboxylic acid

4-[(2R)-2-aminopentanoyl]thiomorpholine-3-carboxylic acid (PubChem CID 107570416) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is 4-[(2R)-2-aminopentanoyl]thiomorpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2R)-2-aminopentanoyl]thiomorpholine-3-carboxylic acid
PubChem CID107570416
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name4-[(2R)-2-aminopentanoyl]thiomorpholine-3-carboxylic acid
SMILESCCC[C@@H](N)C(=O)N1CCSCC1C(=O)O
InChIInChI=1S/C10H18N2O3S/c1-2-3-7(11)9(13)12-4-5-16-6-8(12)10(14)15/h7-8H,2-6,11H2,1H3,(H,14,15)/t7-,8?/m1/s1
InChIKeyKQLBHBITSLWWIC-GVHYBUMESA-N
XLogP0.14
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(2R)-2-aminopentanoyl]thiomorpholine-3-carboxylic 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

ethyl 4-[(2S)-2-aminohexanoyl]thiomorpholine-3-carboxylate
CID 107144406
4-[(2S)-2-amino-3-phenylpropanoyl]thiomorpholine-3-carboxylic acid
CID 82905155
4-(2-amino-3-phenylpropanoyl)thiomorpholine-3-carboxylic acid
CID 82904921
4-(3-aminobutanoyl)thiomorpholine-3-carboxylic acid
CID 82904428
4-[(2R)-2-aminopentanoyl]morpholine-3-carboxylic acid
CID 103871081
(2S)-2-amino-1-(1,3-thiazolidin-3-yl)pentan-1-one
CID 70304364
3-(2-amino-3-carboxypropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 64895742
4-(4-ethoxy-4-oxobutanoyl)thiomorpholine-3-carboxylic acid
CID 82900928
4-[ethyl(propan-2-yl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82904060
4-(4-propylpiperidine-1-carbonyl)thiomorpholine-3-carboxylic acid
CID 82906430
1-[(2S)-2-aminopentanoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 107569128
1-(2-aminopentanoyl)-N,N-diethylpyrrolidine-2-carboxamide
CID 119305878

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-aminopentanoyl]thiomorpholine-3-carboxylic acid?
The IUPAC name of 4-[(2R)-2-aminopentanoyl]thiomorpholine-3-carboxylic acid (CID 107570416) is 4-[(2R)-2-aminopentanoyl]thiomorpholine-3-carboxylic acid.
What is the SMILES notation for 4-[(2R)-2-aminopentanoyl]thiomorpholine-3-carboxylic acid?
The canonical SMILES for 4-[(2R)-2-aminopentanoyl]thiomorpholine-3-carboxylic acid is CCC[C@@H](N)C(=O)N1CCSCC1C(=O)O.
What is the InChIKey of 4-[(2R)-2-aminopentanoyl]thiomorpholine-3-carboxylic acid?
The InChIKey is KQLBHBITSLWWIC-GVHYBUMESA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-2-3-7(11)9(13)12-4-5-16-6-8(12)10(14)15/h7-8H,2-6,11H2,1H3,(H,14,15)/t7-,8?/m1/s1.
What are the key properties of 4-[(2R)-2-aminopentanoyl]thiomorpholine-3-carboxylic acid?
4-[(2R)-2-aminopentanoyl]thiomorpholine-3-carboxylic acid has a molecular weight of 246.33 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-aminopentanoyl]thiomorpholine-3-carboxylic acid is sourced from PubChem (CID 107570416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).