3-[[(2R)-2-aminopentanoyl]amino]-5,5-dimethylhexanoic acid

C13H26N2O3 — CID 107570673

IUPAC3-[[(2R)-2-aminopentanoyl]amino]-5,5-dimethylhexanoic acid
SMILESCCC[C@@H](N)C(=O)NC(CC(=O)O)CC(C)(C)C
InChIInChI=1S/C13H26N2O3/c1-5-6-10(14)12(18)15-9(7-11(16)17)8-13(2,3)4/h9-10H,5-8,14H2,1-4H3,(H,15,18)(H,16,17)/t9?,10-/m1/s1
InChIKeyCTHANMKGUZBXQR-QVDQXJPCSA-N
MW258.36 g/mol
LogP1.51
Rot. Bonds7

About 3-[[(2R)-2-aminopentanoyl]amino]-5,5-dimethylhexanoic acid

3-[[(2R)-2-aminopentanoyl]amino]-5,5-dimethylhexanoic acid (PubChem CID 107570673) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-[[(2R)-2-aminopentanoyl]amino]-5,5-dimethylhexanoic acid.

Molecular Properties

Compound Name3-[[(2R)-2-aminopentanoyl]amino]-5,5-dimethylhexanoic acid
PubChem CID107570673
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name3-[[(2R)-2-aminopentanoyl]amino]-5,5-dimethylhexanoic acid
SMILESCCC[C@@H](N)C(=O)NC(CC(=O)O)CC(C)(C)C
InChIInChI=1S/C13H26N2O3/c1-5-6-10(14)12(18)15-9(7-11(16)17)8-13(2,3)4/h9-10H,5-8,14H2,1-4H3,(H,15,18)(H,16,17)/t9?,10-/m1/s1
InChIKeyCTHANMKGUZBXQR-QVDQXJPCSA-N
XLogP1.51
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2S)-2-aminohexanoyl]amino]-5,5-dimethylhexanoic acid
CID 107146590
3-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-5,5-dimethylhexanoic acid
CID 104909092
3-[[(2R)-2-amino-3-methylbutanoyl]amino]-5,5-dimethylhexanoic acid
CID 104867277
(2S)-2-amino-N-hexan-3-ylpentanamide
CID 107569552
(2R)-2-amino-N-octan-4-ylpentanamide
CID 103797903
3-[[(2S)-2-aminopentanoyl]amino]-4-methylpentanoic acid
CID 107570372
2-amino-N-[(2S)-1-hydroxybutan-2-yl]pentanamide
CID 107222375
(2S)-2-amino-N-[(2S)-1-hydroxybutan-2-yl]pentanamide
CID 107571000
3-[[(2S)-2-aminopentanoyl]amino]-3-cyclopropylpropanoic acid
CID 103870481
3-[(2-amino-4-phenylbutanoyl)amino]hexanoic acid
CID 114929257
3-[[(2S)-2-amino-4-phenylbutanoyl]amino]hexanoic acid
CID 104984718
2-amino-N-(3,3-dimethylbutyl)pentanamide
CID 112687728

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2-aminopentanoyl]amino]-5,5-dimethylhexanoic acid?
The IUPAC name of 3-[[(2R)-2-aminopentanoyl]amino]-5,5-dimethylhexanoic acid (CID 107570673) is 3-[[(2R)-2-aminopentanoyl]amino]-5,5-dimethylhexanoic acid.
What is the SMILES notation for 3-[[(2R)-2-aminopentanoyl]amino]-5,5-dimethylhexanoic acid?
The canonical SMILES for 3-[[(2R)-2-aminopentanoyl]amino]-5,5-dimethylhexanoic acid is CCC[C@@H](N)C(=O)NC(CC(=O)O)CC(C)(C)C.
What is the InChIKey of 3-[[(2R)-2-aminopentanoyl]amino]-5,5-dimethylhexanoic acid?
The InChIKey is CTHANMKGUZBXQR-QVDQXJPCSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-5-6-10(14)12(18)15-9(7-11(16)17)8-13(2,3)4/h9-10H,5-8,14H2,1-4H3,(H,15,18)(H,16,17)/t9?,10-/m1/s1.
What are the key properties of 3-[[(2R)-2-aminopentanoyl]amino]-5,5-dimethylhexanoic acid?
3-[[(2R)-2-aminopentanoyl]amino]-5,5-dimethylhexanoic acid has a molecular weight of 258.36 g/mol, XLogP of 1.51, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-2-aminopentanoyl]amino]-5,5-dimethylhexanoic acid is sourced from PubChem (CID 107570673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).