7-[[(2R)-2-aminopentanoyl]amino]heptanoic acid

C12H24N2O3 — CID 103869350

IUPAC7-[[(2R)-2-aminopentanoyl]amino]heptanoic acid
SMILESCCC[C@@H](N)C(=O)NCCCCCCC(=O)O
InChIInChI=1S/C12H24N2O3/c1-2-7-10(13)12(17)14-9-6-4-3-5-8-11(15)16/h10H,2-9,13H2,1H3,(H,14,17)(H,15,16)/t10-/m1/s1
InChIKeyGUIDLOFJJPSKGW-SNVBAGLBSA-N
MW244.33 g/mol
LogP1.27
Rot. Bonds10

About 7-[[(2R)-2-aminopentanoyl]amino]heptanoic acid

7-[[(2R)-2-aminopentanoyl]amino]heptanoic acid (PubChem CID 103869350) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 7-[[(2R)-2-aminopentanoyl]amino]heptanoic acid.

Molecular Properties

Compound Name7-[[(2R)-2-aminopentanoyl]amino]heptanoic acid
PubChem CID103869350
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name7-[[(2R)-2-aminopentanoyl]amino]heptanoic acid
SMILESCCC[C@@H](N)C(=O)NCCCCCCC(=O)O
InChIInChI=1S/C12H24N2O3/c1-2-7-10(13)12(17)14-9-6-4-3-5-8-11(15)16/h10H,2-9,13H2,1H3,(H,14,17)(H,15,16)/t10-/m1/s1
InChIKeyGUIDLOFJJPSKGW-SNVBAGLBSA-N
XLogP1.27
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.27
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

6-[[(2R)-2-aminopentanoyl]amino]hexanoic acid
CID 103868717
(2S)-2-amino-N-(5-amino-5-oxopentyl)pentanamide
CID 106235890
18-[(2-amino-4-sulfanylbutanoyl)amino]octadecanoic acid
CID 89495873
4-(2-aminohexanoylamino)butanoic acid
CID 61157473
(2S)-2-amino-N-(5-hydroxypentyl)pentanamide
CID 107571012
7-(2-propylpentanoylamino)heptanoic acid
CID 82985548
12-[[2-amino-3-[[2-amino-3-(dodecylamino)-3-oxopropyl]disulfanyl]propanoyl]amino]dodecanoic acid
CID 129089614
(2R)-2-amino-N-butylpentanamide
CID 82668431
5-(2,5-diaminopentanoylamino)pentanoic acid;dichloroplatinum
CID 144749170
16-[(2-amino-3-sulfanylpropanoyl)amino]hexadecanoic acid
CID 53362588
12-[[2-amino-3-[[2-amino-3-(11-carboxyundecylamino)-3-oxopropyl]disulfanyl]propanoyl]amino]dodecanoic acid
CID 89495848
14-[[2-amino-3-[[2-amino-3-(13-carboxytridecylamino)-3-oxopropyl]disulfanyl]propanoyl]amino]tetradecanoic acid
CID 129089504

Frequently Asked Questions

What is the IUPAC name of 7-[[(2R)-2-aminopentanoyl]amino]heptanoic acid?
The IUPAC name of 7-[[(2R)-2-aminopentanoyl]amino]heptanoic acid (CID 103869350) is 7-[[(2R)-2-aminopentanoyl]amino]heptanoic acid.
What is the SMILES notation for 7-[[(2R)-2-aminopentanoyl]amino]heptanoic acid?
The canonical SMILES for 7-[[(2R)-2-aminopentanoyl]amino]heptanoic acid is CCC[C@@H](N)C(=O)NCCCCCCC(=O)O.
What is the InChIKey of 7-[[(2R)-2-aminopentanoyl]amino]heptanoic acid?
The InChIKey is GUIDLOFJJPSKGW-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-2-7-10(13)12(17)14-9-6-4-3-5-8-11(15)16/h10H,2-9,13H2,1H3,(H,14,17)(H,15,16)/t10-/m1/s1.
What are the key properties of 7-[[(2R)-2-aminopentanoyl]amino]heptanoic acid?
7-[[(2R)-2-aminopentanoyl]amino]heptanoic acid has a molecular weight of 244.33 g/mol, XLogP of 1.27, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(2R)-2-aminopentanoyl]amino]heptanoic acid is sourced from PubChem (CID 103869350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).