2-[[(2R)-2-aminopentanoyl]amino]hexanoic acid

C11H22N2O3 — CID 103869500

IUPAC2-[[(2R)-2-aminopentanoyl]amino]hexanoic acid
SMILESCCCCC(NC(=O)[C@H](N)CCC)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-3-5-7-9(11(15)16)13-10(14)8(12)6-4-2/h8-9H,3-7,12H2,1-2H3,(H,13,14)(H,15,16)/t8-,9?/m1/s1
InChIKeySAZZLRKKUXDYBK-VEDVMXKPSA-N
MW230.31 g/mol
LogP0.87
Rot. Bonds8

About 2-[[(2R)-2-aminopentanoyl]amino]hexanoic acid

2-[[(2R)-2-aminopentanoyl]amino]hexanoic acid (PubChem CID 103869500) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[[(2R)-2-aminopentanoyl]amino]hexanoic acid.

Molecular Properties

Compound Name2-[[(2R)-2-aminopentanoyl]amino]hexanoic acid
PubChem CID103869500
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-[[(2R)-2-aminopentanoyl]amino]hexanoic acid
SMILESCCCCC(NC(=O)[C@H](N)CCC)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-3-5-7-9(11(15)16)13-10(14)8(12)6-4-2/h8-9H,3-7,12H2,1-2H3,(H,13,14)(H,15,16)/t8-,9?/m1/s1
InChIKeySAZZLRKKUXDYBK-VEDVMXKPSA-N
XLogP0.87
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2S)-2-aminoheptanoyl]amino]heptanoic acid
CID 121291203
2-[[(2S)-2-aminohexanoyl]amino]pentanedioic acid
CID 107144810
6-amino-2-[[(2S)-2-aminoheptanoyl]amino]hexanoic acid
CID 126760734
(2R)-2-amino-N-octan-4-ylpentanamide
CID 103797903
(2S)-5-amino-2-[[(2R)-2-aminopentanoyl]amino]-5-oxopentanoic acid
CID 103870468
(2R)-5-amino-2-[[(2S)-2-aminopentanoyl]amino]-5-oxopentanoic acid
CID 107830315
(2S)-2-[[(2S)-2-[[(2S)-2-aminohexanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 175745494
(2S)-6-amino-2-[[4-amino-2-(2-aminohexanoylamino)butanoyl]amino]hexanoic acid
CID 24983240
(2R)-2-[[(2S)-2-aminobutanoyl]amino]pentanoic acid
CID 103869979
(2R)-2-[[(2S)-2-aminopentanoyl]amino]-4-methylsulfanylbutanoic acid
CID 107570768
(2R)-2-[[(2R)-2-aminopentanoyl]amino]-4-methylsulfanylbutanoic acid
CID 107570769
4-amino-2-[[(2R)-2-aminopentanoyl]amino]-4-oxobutanoic acid
CID 103868880

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-aminopentanoyl]amino]hexanoic acid?
The IUPAC name of 2-[[(2R)-2-aminopentanoyl]amino]hexanoic acid (CID 103869500) is 2-[[(2R)-2-aminopentanoyl]amino]hexanoic acid.
What is the SMILES notation for 2-[[(2R)-2-aminopentanoyl]amino]hexanoic acid?
The canonical SMILES for 2-[[(2R)-2-aminopentanoyl]amino]hexanoic acid is CCCCC(NC(=O)[C@H](N)CCC)C(=O)O.
What is the InChIKey of 2-[[(2R)-2-aminopentanoyl]amino]hexanoic acid?
The InChIKey is SAZZLRKKUXDYBK-VEDVMXKPSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-3-5-7-9(11(15)16)13-10(14)8(12)6-4-2/h8-9H,3-7,12H2,1-2H3,(H,13,14)(H,15,16)/t8-,9?/m1/s1.
What are the key properties of 2-[[(2R)-2-aminopentanoyl]amino]hexanoic acid?
2-[[(2R)-2-aminopentanoyl]amino]hexanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.87, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-aminopentanoyl]amino]hexanoic acid is sourced from PubChem (CID 103869500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).