2-[3-(2-aminoethylsulfanyl)propylamino]acetic acid

C7H16N2O2S — CID 175755991

IUPAC2-[3-(2-aminoethylsulfanyl)propylamino]acetic acid
SMILESNCCSCCCNCC(=O)O
InChIInChI=1S/C7H16N2O2S/c8-2-5-12-4-1-3-9-6-7(10)11/h9H,1-6,8H2,(H,10,11)
InChIKeyXYIPZYKQCQRSJP-UHFFFAOYSA-N
MW192.28 g/mol
LogP-0.26
Rot. Bonds8

About 2-[3-(2-aminoethylsulfanyl)propylamino]acetic acid

2-[3-(2-aminoethylsulfanyl)propylamino]acetic acid (PubChem CID 175755991) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is 2-[3-(2-aminoethylsulfanyl)propylamino]acetic acid.

Molecular Properties

Compound Name2-[3-(2-aminoethylsulfanyl)propylamino]acetic acid
PubChem CID175755991
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name2-[3-(2-aminoethylsulfanyl)propylamino]acetic acid
SMILESNCCSCCCNCC(=O)O
InChIInChI=1S/C7H16N2O2S/c8-2-5-12-4-1-3-9-6-7(10)11/h9H,1-6,8H2,(H,10,11)
InChIKeyXYIPZYKQCQRSJP-UHFFFAOYSA-N
XLogP-0.26
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;2-aminoacetic acid;2-[3-(carboxymethylamino)propylamino]acetic acid;iron
CID 174426239
2-(2-aminoethylamino)acetic acid;2-chloroacetic acid;ethane-1,2-diamine
CID 161009872
2-(4-hydroxybutylamino)acetic acid
CID 22121765
3-(2-aminoethylsulfanyl)-N-methylpropan-1-amine
CID 106318312
sodium 2-(3-hydroxypropylamino)acetic acid
CID 21242628
3-[3-(dodecylamino)propylsulfanyl]propanoic acid
CID 142462167
2-(4,4-difluorobutylamino)acetic acid
CID 171702884
N'-(2-aminoethyl)ethane-1,2-diamine;bis(butanedioic acid)
CID 87573177
N,N'-bis(3-aminopropyl)butane-1,4-diamine;butanedioic acid
CID 174466716
dipotassium;2-[2-(carboxymethylsulfanyl)ethylamino]acetic acid;hydride
CID 173272303
5-[(3-amino-2-oxopropyl)amino]pentanoic acid
CID 57465277
14-(2-aminoethylamino)tetradecanoic acid
CID 173203671

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethylsulfanyl)propylamino]acetic acid?
The IUPAC name of 2-[3-(2-aminoethylsulfanyl)propylamino]acetic acid (CID 175755991) is 2-[3-(2-aminoethylsulfanyl)propylamino]acetic acid.
What is the SMILES notation for 2-[3-(2-aminoethylsulfanyl)propylamino]acetic acid?
The canonical SMILES for 2-[3-(2-aminoethylsulfanyl)propylamino]acetic acid is NCCSCCCNCC(=O)O.
What is the InChIKey of 2-[3-(2-aminoethylsulfanyl)propylamino]acetic acid?
The InChIKey is XYIPZYKQCQRSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c8-2-5-12-4-1-3-9-6-7(10)11/h9H,1-6,8H2,(H,10,11).
What are the key properties of 2-[3-(2-aminoethylsulfanyl)propylamino]acetic acid?
2-[3-(2-aminoethylsulfanyl)propylamino]acetic acid has a molecular weight of 192.28 g/mol, XLogP of -0.26, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethylsulfanyl)propylamino]acetic acid is sourced from PubChem (CID 175755991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).