(2S)-2-amino-5-[[(1R)-1-amino-1-sulfanylpentyl]amino]pentanoic acid

C10H23N3O2S — CID 46942380

IUPAC(2S)-2-amino-5-[[(1R)-1-amino-1-sulfanylpentyl]amino]pentanoic acid
SMILESCCCC[C@](N)(S)NCCC[C@H](N)C(=O)O
InChIInChI=1S/C10H23N3O2S/c1-2-3-6-10(12,16)13-7-4-5-8(11)9(14)15/h8,13,16H,2-7,11-12H2,1H3,(H,14,15)/t8-,10+/m0/s1
InChIKeySTJHDENRTDICHR-WCBMZHEXSA-N
MW249.38 g/mol
LogP0.50
Rot. Bonds9

About (2S)-2-amino-5-[[(1R)-1-amino-1-sulfanylpentyl]amino]pentanoic acid

(2S)-2-amino-5-[[(1R)-1-amino-1-sulfanylpentyl]amino]pentanoic acid (PubChem CID 46942380) has the molecular formula C10H23N3O2S and a molecular weight of 249.38 g/mol. Its IUPAC name is (2S)-2-amino-5-[[(1R)-1-amino-1-sulfanylpentyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-[[(1R)-1-amino-1-sulfanylpentyl]amino]pentanoic acid
PubChem CID46942380
Molecular FormulaC10H23N3O2S
Molecular Weight249.38 g/mol
Exact Mass249.15
IUPAC Name(2S)-2-amino-5-[[(1R)-1-amino-1-sulfanylpentyl]amino]pentanoic acid
SMILESCCCC[C@](N)(S)NCCC[C@H](N)C(=O)O
InChIInChI=1S/C10H23N3O2S/c1-2-3-6-10(12,16)13-7-4-5-8(11)9(14)15/h8,13,16H,2-7,11-12H2,1H3,(H,14,15)/t8-,10+/m0/s1
InChIKeySTJHDENRTDICHR-WCBMZHEXSA-N
XLogP0.50
TPSA101.37 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-aminohexanoic acid;dihydrochloride
CID 142770522
(2S)-2-aminopentacosanoic acid
CID 158815459
2-aminotetracosanoic acid
CID 88730229
(2S)-2-aminohexanoic acid;(2R)-2-aminopentanoic acid
CID 158530553
(2S)-2-aminododecanoic acid
CID 10560640
2-amino-5-(ethylamino)pentanoic acid
CID 4868762
2-aminohexadecanoic acid;azane
CID 175267671
sodium;(2S)-2-aminotridecanoic acid;hydride
CID 174527444
(2S)-2-amino-6-(dodecylcarbamoylamino)hexanoic acid
CID 15825732
2-aminopentanoic acid;pentanoic acid
CID 158644900
2-aminohexanoic acid;2,6-diaminohexanoic acid
CID 22006143
(2S)-2-aminohexanoic acid;(2S)-2-aminopentanedioic acid
CID 87638695

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-[[(1R)-1-amino-1-sulfanylpentyl]amino]pentanoic acid?
The IUPAC name of (2S)-2-amino-5-[[(1R)-1-amino-1-sulfanylpentyl]amino]pentanoic acid (CID 46942380) is (2S)-2-amino-5-[[(1R)-1-amino-1-sulfanylpentyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-[[(1R)-1-amino-1-sulfanylpentyl]amino]pentanoic acid?
The canonical SMILES for (2S)-2-amino-5-[[(1R)-1-amino-1-sulfanylpentyl]amino]pentanoic acid is CCCC[C@](N)(S)NCCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-[[(1R)-1-amino-1-sulfanylpentyl]amino]pentanoic acid?
The InChIKey is STJHDENRTDICHR-WCBMZHEXSA-N. The full InChI is InChI=1S/C10H23N3O2S/c1-2-3-6-10(12,16)13-7-4-5-8(11)9(14)15/h8,13,16H,2-7,11-12H2,1H3,(H,14,15)/t8-,10+/m0/s1.
What are the key properties of (2S)-2-amino-5-[[(1R)-1-amino-1-sulfanylpentyl]amino]pentanoic acid?
(2S)-2-amino-5-[[(1R)-1-amino-1-sulfanylpentyl]amino]pentanoic acid has a molecular weight of 249.38 g/mol, XLogP of 0.50, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-[[(1R)-1-amino-1-sulfanylpentyl]amino]pentanoic acid is sourced from PubChem (CID 46942380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).