(2S)-2-(5-aminopentanoylamino)pentanoic acid

C10H20N2O3 — CID 103869799

IUPAC(2S)-2-(5-aminopentanoylamino)pentanoic acid
SMILESCCC[C@H](NC(=O)CCCCN)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-2-5-8(10(14)15)12-9(13)6-3-4-7-11/h8H,2-7,11H2,1H3,(H,12,13)(H,14,15)/t8-/m0/s1
InChIKeyYYZNBSPJIREPGX-QMMMGPOBSA-N
MW216.28 g/mol
LogP0.48
Rot. Bonds8

About (2S)-2-(5-aminopentanoylamino)pentanoic acid

(2S)-2-(5-aminopentanoylamino)pentanoic acid (PubChem CID 103869799) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is (2S)-2-(5-aminopentanoylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-(5-aminopentanoylamino)pentanoic acid
PubChem CID103869799
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name(2S)-2-(5-aminopentanoylamino)pentanoic acid
SMILESCCC[C@H](NC(=O)CCCCN)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-2-5-8(10(14)15)12-9(13)6-3-4-7-11/h8H,2-7,11H2,1H3,(H,12,13)(H,14,15)/t8-/m0/s1
InChIKeyYYZNBSPJIREPGX-QMMMGPOBSA-N
XLogP0.48
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(4-aminobutanoylamino)pentanoic acid
CID 103869889
2-(7-aminoheptanoylamino)hexanoic acid
CID 61161785
(2S)-6-amino-2-(heptadecanoylamino)hexanoic acid
CID 171116907
6-amino-2-(nonanoylamino)hexanoic acid
CID 22722100
6-amino-2-(octanoylamino)hexanoic acid;sulfane
CID 174384017
(2S)-5-amino-2-(decanoylamino)pentanoic acid
CID 54420497
6-amino-2-(6-aminohexanoylamino)hexanoic acid
CID 19028400
(2S)-6-amino-2-(8-aminooctanoylamino)hexanoic acid
CID 118249963
6-amino-2-(hexanoylamino)hexanoic acid;dodecanamide
CID 174328411
(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-(hexadecanoylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid
CID 53323362
2-(6-aminohexanoylamino)pentanedioic acid;ethane
CID 142985665
5-(1-carboxybutylamino)-2-(icosanoylamino)-5-oxopentanoic acid
CID 58954563

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-aminopentanoylamino)pentanoic acid?
The IUPAC name of (2S)-2-(5-aminopentanoylamino)pentanoic acid (CID 103869799) is (2S)-2-(5-aminopentanoylamino)pentanoic acid.
What is the SMILES notation for (2S)-2-(5-aminopentanoylamino)pentanoic acid?
The canonical SMILES for (2S)-2-(5-aminopentanoylamino)pentanoic acid is CCC[C@H](NC(=O)CCCCN)C(=O)O.
What is the InChIKey of (2S)-2-(5-aminopentanoylamino)pentanoic acid?
The InChIKey is YYZNBSPJIREPGX-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-2-5-8(10(14)15)12-9(13)6-3-4-7-11/h8H,2-7,11H2,1H3,(H,12,13)(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-2-(5-aminopentanoylamino)pentanoic acid?
(2S)-2-(5-aminopentanoylamino)pentanoic acid has a molecular weight of 216.28 g/mol, XLogP of 0.48, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-aminopentanoylamino)pentanoic acid is sourced from PubChem (CID 103869799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).