(2S)-2-amino-6-[(2,5-diamino-5-oxopentanoyl)amino]hexanoic acid

C11H22N4O4 — CID 174585198

IUPAC(2S)-2-amino-6-[(2,5-diamino-5-oxopentanoyl)amino]hexanoic acid
SMILESNC(=O)CCC(N)C(=O)NCCCC[C@H](N)C(=O)O
InChIInChI=1S/C11H22N4O4/c12-7(4-5-9(14)16)10(17)15-6-2-1-3-8(13)11(18)19/h7-8H,1-6,12-13H2,(H2,14,16)(H,15,17)(H,18,19)/t7?,8-/m0/s1
InChIKeyLFFMZMYNSAJLIG-MQWKRIRWSA-N
MW274.32 g/mol
LogP-1.72
Rot. Bonds10

About (2S)-2-amino-6-[(2,5-diamino-5-oxopentanoyl)amino]hexanoic acid

(2S)-2-amino-6-[(2,5-diamino-5-oxopentanoyl)amino]hexanoic acid (PubChem CID 174585198) has the molecular formula C11H22N4O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is (2S)-2-amino-6-[(2,5-diamino-5-oxopentanoyl)amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-6-[(2,5-diamino-5-oxopentanoyl)amino]hexanoic acid
PubChem CID174585198
Molecular FormulaC11H22N4O4
Molecular Weight274.32 g/mol
Exact Mass274.16
IUPAC Name(2S)-2-amino-6-[(2,5-diamino-5-oxopentanoyl)amino]hexanoic acid
SMILESNC(=O)CCC(N)C(=O)NCCCC[C@H](N)C(=O)O
InChIInChI=1S/C11H22N4O4/c12-7(4-5-9(14)16)10(17)15-6-2-1-3-8(13)11(18)19/h7-8H,1-6,12-13H2,(H2,14,16)(H,15,17)(H,18,19)/t7?,8-/m0/s1
InChIKeyLFFMZMYNSAJLIG-MQWKRIRWSA-N
XLogP-1.72
TPSA161.53 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 5-1.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2S)-2-amino-6-[(2,5-diamino-5-oxopentanoyl)amino]hexanoic acid with MolForge

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Related Compounds

4-amino-5-[(4-amino-4-oxobutyl)amino]-5-oxopentanoic acid
CID 64890076
(2S)-2,6-diamino-6-oxohexanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid
CID 160740452
(2S)-2-amino-6-[[(2S)-2-amino-3-sulfanylpropanoyl]amino]hexanoic acid
CID 51356146
(2S)-2-amino-6-[[(2S,9S)-2,9,13-triamino-8-oxotridecanoyl]amino]hexanoic acid
CID 58195957
(2S)-2,7-diamino-7-oxoheptanoic acid
CID 88911267
2,5-diamino-5-oxopentanoic acid
CID 738
2,5-bis(15N)(azanyl)-5-oxopentanoic acid
CID 87103617
(2S)-2,5-diamino-5-oxo(413C)pentanoic acid
CID 71309916
(2S)-2-amino-N-(5-amino-5-oxopentyl)pentanamide
CID 106235890
2,5-diamino-5-oxopentanoic acid;dihydrate
CID 174966770
aluminum 2,5-diamino-5-oxopentanoic acid
CID 20532187
2,5-diamino-5-oxopentanoic acid;dihydrochloride
CID 174895279

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-6-[(2,5-diamino-5-oxopentanoyl)amino]hexanoic acid?
The IUPAC name of (2S)-2-amino-6-[(2,5-diamino-5-oxopentanoyl)amino]hexanoic acid (CID 174585198) is (2S)-2-amino-6-[(2,5-diamino-5-oxopentanoyl)amino]hexanoic acid.
What is the SMILES notation for (2S)-2-amino-6-[(2,5-diamino-5-oxopentanoyl)amino]hexanoic acid?
The canonical SMILES for (2S)-2-amino-6-[(2,5-diamino-5-oxopentanoyl)amino]hexanoic acid is NC(=O)CCC(N)C(=O)NCCCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-6-[(2,5-diamino-5-oxopentanoyl)amino]hexanoic acid?
The InChIKey is LFFMZMYNSAJLIG-MQWKRIRWSA-N. The full InChI is InChI=1S/C11H22N4O4/c12-7(4-5-9(14)16)10(17)15-6-2-1-3-8(13)11(18)19/h7-8H,1-6,12-13H2,(H2,14,16)(H,15,17)(H,18,19)/t7?,8-/m0/s1.
What are the key properties of (2S)-2-amino-6-[(2,5-diamino-5-oxopentanoyl)amino]hexanoic acid?
(2S)-2-amino-6-[(2,5-diamino-5-oxopentanoyl)amino]hexanoic acid has a molecular weight of 274.32 g/mol, XLogP of -1.72, 10 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-6-[(2,5-diamino-5-oxopentanoyl)amino]hexanoic acid is sourced from PubChem (CID 174585198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).