(2R)-3-(disulfanyl)-N-(2-hydroxypropyl)-2-(3-hydroxypropylamino)propanamide

C9H20N2O3S2 — CID 134408871

IUPAC(2R)-3-(disulfanyl)-N-(2-hydroxypropyl)-2-(3-hydroxypropylamino)propanamide
SMILESCC(O)CNC(=O)[C@H](CSS)NCCCO
InChIInChI=1S/C9H20N2O3S2/c1-7(13)5-11-9(14)8(6-16-15)10-3-2-4-12/h7-8,10,12-13,15H,2-6H2,1H3,(H,11,14)/t7?,8-/m0/s1
InChIKeyGBMVRCYVXDVAON-MQWKRIRWSA-N
MW268.40 g/mol
LogP-0.60
Rot. Bonds9

About (2R)-3-(disulfanyl)-N-(2-hydroxypropyl)-2-(3-hydroxypropylamino)propanamide

(2R)-3-(disulfanyl)-N-(2-hydroxypropyl)-2-(3-hydroxypropylamino)propanamide (PubChem CID 134408871) has the molecular formula C9H20N2O3S2 and a molecular weight of 268.40 g/mol. Its IUPAC name is (2R)-3-(disulfanyl)-N-(2-hydroxypropyl)-2-(3-hydroxypropylamino)propanamide.

Molecular Properties

Compound Name(2R)-3-(disulfanyl)-N-(2-hydroxypropyl)-2-(3-hydroxypropylamino)propanamide
PubChem CID134408871
Molecular FormulaC9H20N2O3S2
Molecular Weight268.40 g/mol
Exact Mass268.09
IUPAC Name(2R)-3-(disulfanyl)-N-(2-hydroxypropyl)-2-(3-hydroxypropylamino)propanamide
SMILESCC(O)CNC(=O)[C@H](CSS)NCCCO
InChIInChI=1S/C9H20N2O3S2/c1-7(13)5-11-9(14)8(6-16-15)10-3-2-4-12/h7-8,10,12-13,15H,2-6H2,1H3,(H,11,14)/t7?,8-/m0/s1
InChIKeyGBMVRCYVXDVAON-MQWKRIRWSA-N
XLogP-0.60
TPSA81.59 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 5-0.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (2R)-3-(disulfanyl)-N-(2-hydroxypropyl)-2-(3-hydroxypropylamino)propanamide 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

N,N'-bis[1-(2-hydroxypropylamino)-1-oxo-3-sulfanylpropan-2-yl]oxamide
CID 87760899
4-[[(2R)-2-hydroxypropyl]amino]-2,3-dimethyl-4-oxobutanoic acid
CID 107214713
N-ethyl-2-(3-hydroxypropylamino)propanamide
CID 43392791
1-[2-(3-hydroxypropyl)hydrazinyl]propan-2-ol
CID 173275724
N-[(2S)-2-hydroxypropyl]-2-propylpentanamide
CID 10058650
2-ethyl-N-[(2R)-2-hydroxypropyl]butanamide
CID 39236453
4-amino-N-[(2S)-2-hydroxypropyl]-2-methylbutanamide
CID 107221139
2-tert-butyl-N-(2-hydroxypropyl)-2,3,3-trimethylbutanamide
CID 88557518
2-(3-hydroxypropylamino)propanamide
CID 43392787
N-carbamoyl-2-(3-hydroxypropylamino)propanamide
CID 43392786
2-cyclopropyl-N-(3-hydroxypropyl)propanamide
CID 81449535
N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methylpropanamide
CID 103767304

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(disulfanyl)-N-(2-hydroxypropyl)-2-(3-hydroxypropylamino)propanamide?
The IUPAC name of (2R)-3-(disulfanyl)-N-(2-hydroxypropyl)-2-(3-hydroxypropylamino)propanamide (CID 134408871) is (2R)-3-(disulfanyl)-N-(2-hydroxypropyl)-2-(3-hydroxypropylamino)propanamide.
What is the SMILES notation for (2R)-3-(disulfanyl)-N-(2-hydroxypropyl)-2-(3-hydroxypropylamino)propanamide?
The canonical SMILES for (2R)-3-(disulfanyl)-N-(2-hydroxypropyl)-2-(3-hydroxypropylamino)propanamide is CC(O)CNC(=O)[C@H](CSS)NCCCO.
What is the InChIKey of (2R)-3-(disulfanyl)-N-(2-hydroxypropyl)-2-(3-hydroxypropylamino)propanamide?
The InChIKey is GBMVRCYVXDVAON-MQWKRIRWSA-N. The full InChI is InChI=1S/C9H20N2O3S2/c1-7(13)5-11-9(14)8(6-16-15)10-3-2-4-12/h7-8,10,12-13,15H,2-6H2,1H3,(H,11,14)/t7?,8-/m0/s1.
What are the key properties of (2R)-3-(disulfanyl)-N-(2-hydroxypropyl)-2-(3-hydroxypropylamino)propanamide?
(2R)-3-(disulfanyl)-N-(2-hydroxypropyl)-2-(3-hydroxypropylamino)propanamide has a molecular weight of 268.40 g/mol, XLogP of -0.60, 9 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(disulfanyl)-N-(2-hydroxypropyl)-2-(3-hydroxypropylamino)propanamide is sourced from PubChem (CID 134408871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).