4-[2-[[(2R)-2-aminopentanoyl]amino]ethyl]-5,5-dimethylhexanoic acid

C15H30N2O3 — CID 107569825

IUPAC4-[2-[[(2R)-2-aminopentanoyl]amino]ethyl]-5,5-dimethylhexanoic acid
SMILESCCC[C@@H](N)C(=O)NCCC(CCC(=O)O)C(C)(C)C
InChIInChI=1S/C15H30N2O3/c1-5-6-12(16)14(20)17-10-9-11(15(2,3)4)7-8-13(18)19/h11-12H,5-10,16H2,1-4H3,(H,17,20)(H,18,19)/t11?,12-/m1/s1
InChIKeyLJWZGFOHKQJTCM-PIJUOVFKSA-N
MW286.42 g/mol
LogP2.15
Rot. Bonds9

About 4-[2-[[(2R)-2-aminopentanoyl]amino]ethyl]-5,5-dimethylhexanoic acid

4-[2-[[(2R)-2-aminopentanoyl]amino]ethyl]-5,5-dimethylhexanoic acid (PubChem CID 107569825) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 4-[2-[[(2R)-2-aminopentanoyl]amino]ethyl]-5,5-dimethylhexanoic acid.

Molecular Properties

Compound Name4-[2-[[(2R)-2-aminopentanoyl]amino]ethyl]-5,5-dimethylhexanoic acid
PubChem CID107569825
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name4-[2-[[(2R)-2-aminopentanoyl]amino]ethyl]-5,5-dimethylhexanoic acid
SMILESCCC[C@@H](N)C(=O)NCCC(CCC(=O)O)C(C)(C)C
InChIInChI=1S/C15H30N2O3/c1-5-6-12(16)14(20)17-10-9-11(15(2,3)4)7-8-13(18)19/h11-12H,5-10,16H2,1-4H3,(H,17,20)(H,18,19)/t11?,12-/m1/s1
InChIKeyLJWZGFOHKQJTCM-PIJUOVFKSA-N
XLogP2.15
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[2-[[(2R)-2-aminopentanoyl]amino]ethyl]-5,5-dimethylhexanoic acid with MolForge

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Related Compounds

4-[2-[(2-amino-2-methylbutanoyl)amino]ethyl]-5,5-dimethylhexanoic acid
CID 79811017
4-[2-[[2-(aminomethyl)-3-methylbutanoyl]amino]ethyl]-5,5-dimethylhexanoic acid
CID 65227852
7-[[(2R)-2-aminopentanoyl]amino]heptanoic acid
CID 103869350
6-[[(2R)-2-aminopentanoyl]amino]hexanoic acid
CID 103868717
4-[2-[(2-amino-3-carboxypropanoyl)amino]ethyl]heptanoic acid
CID 64894801
4-[2-[(2-amino-3,3-dimethylbutanoyl)amino]ethyl]heptanoic acid
CID 77033094
5,5-dimethyl-4-[2-[(2-propoxyacetyl)amino]ethyl]hexanoic acid
CID 107938043
4-amino-5-[(2-hydroxy-2-methylpropyl)amino]-5-oxopentanoic acid
CID 65106502
2-amino-N-propylpentanamide
CID 43649977
2-amino-N-(3,3-dimethylbutyl)pentanamide
CID 112687728
4-(2-aminohexanoylamino)butanoic acid
CID 61157473
(2R)-2-amino-N-butylpentanamide
CID 82668431

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[(2R)-2-aminopentanoyl]amino]ethyl]-5,5-dimethylhexanoic acid?
The IUPAC name of 4-[2-[[(2R)-2-aminopentanoyl]amino]ethyl]-5,5-dimethylhexanoic acid (CID 107569825) is 4-[2-[[(2R)-2-aminopentanoyl]amino]ethyl]-5,5-dimethylhexanoic acid.
What is the SMILES notation for 4-[2-[[(2R)-2-aminopentanoyl]amino]ethyl]-5,5-dimethylhexanoic acid?
The canonical SMILES for 4-[2-[[(2R)-2-aminopentanoyl]amino]ethyl]-5,5-dimethylhexanoic acid is CCC[C@@H](N)C(=O)NCCC(CCC(=O)O)C(C)(C)C.
What is the InChIKey of 4-[2-[[(2R)-2-aminopentanoyl]amino]ethyl]-5,5-dimethylhexanoic acid?
The InChIKey is LJWZGFOHKQJTCM-PIJUOVFKSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-5-6-12(16)14(20)17-10-9-11(15(2,3)4)7-8-13(18)19/h11-12H,5-10,16H2,1-4H3,(H,17,20)(H,18,19)/t11?,12-/m1/s1.
What are the key properties of 4-[2-[[(2R)-2-aminopentanoyl]amino]ethyl]-5,5-dimethylhexanoic acid?
4-[2-[[(2R)-2-aminopentanoyl]amino]ethyl]-5,5-dimethylhexanoic acid has a molecular weight of 286.42 g/mol, XLogP of 2.15, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[(2R)-2-aminopentanoyl]amino]ethyl]-5,5-dimethylhexanoic acid is sourced from PubChem (CID 107569825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).