5-[[(2R)-2-amino-4-methylpentanoyl]amino]hexanoic acid

C12H24N2O3 — CID 104903890

IUPAC5-[[(2R)-2-amino-4-methylpentanoyl]amino]hexanoic acid
SMILESCC(C)C[C@@H](N)C(=O)NC(C)CCCC(=O)O
InChIInChI=1S/C12H24N2O3/c1-8(2)7-10(13)12(17)14-9(3)5-4-6-11(15)16/h8-10H,4-7,13H2,1-3H3,(H,14,17)(H,15,16)/t9?,10-/m1/s1
InChIKeyQUJFJWKECPLEFV-QVDQXJPCSA-N
MW244.33 g/mol
LogP1.12
Rot. Bonds8

About 5-[[(2R)-2-amino-4-methylpentanoyl]amino]hexanoic acid

5-[[(2R)-2-amino-4-methylpentanoyl]amino]hexanoic acid (PubChem CID 104903890) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 5-[[(2R)-2-amino-4-methylpentanoyl]amino]hexanoic acid.

Molecular Properties

Compound Name5-[[(2R)-2-amino-4-methylpentanoyl]amino]hexanoic acid
PubChem CID104903890
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name5-[[(2R)-2-amino-4-methylpentanoyl]amino]hexanoic acid
SMILESCC(C)C[C@@H](N)C(=O)NC(C)CCCC(=O)O
InChIInChI=1S/C12H24N2O3/c1-8(2)7-10(13)12(17)14-9(3)5-4-6-11(15)16/h8-10H,4-7,13H2,1-3H3,(H,14,17)(H,15,16)/t9?,10-/m1/s1
InChIKeyQUJFJWKECPLEFV-QVDQXJPCSA-N
XLogP1.12
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-heptan-2-yl-4-methylpentanamide
CID 61154397
(2S)-2-amino-4-methyl-N-octan-2-ylpentanamide
CID 61179526
(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 145456412
5-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]hexanoic acid
CID 103930433
(2S)-2-amino-N-(5,5-dimethylhexan-2-yl)-4-methylpentanamide
CID 119796588
(4S)-4-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-[[(1S)-1-carboxy-2-methylpropyl]amino]-5-oxopentanoic acid
CID 145456420
4-[(2-amino-4-methylpentanoyl)amino]-5-[[3-carboxy-1-(1-carboxyethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 22704499
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 134825409
2-[[2-[[5-amino-2-[(2-amino-4-methylpentanoyl)amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 22704933
(5S)-5-amino-7-methyloctanoic acid
CID 178163139
2-[2-[(2-amino-4-methylpentanoyl)amino]propanoylamino]pentanedioic acid
CID 18221982
2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-carboxypropanoyl]amino]-3-sulfanylpropanoyl]amino]pentanedioic acid
CID 22703728

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-2-amino-4-methylpentanoyl]amino]hexanoic acid?
The IUPAC name of 5-[[(2R)-2-amino-4-methylpentanoyl]amino]hexanoic acid (CID 104903890) is 5-[[(2R)-2-amino-4-methylpentanoyl]amino]hexanoic acid.
What is the SMILES notation for 5-[[(2R)-2-amino-4-methylpentanoyl]amino]hexanoic acid?
The canonical SMILES for 5-[[(2R)-2-amino-4-methylpentanoyl]amino]hexanoic acid is CC(C)C[C@@H](N)C(=O)NC(C)CCCC(=O)O.
What is the InChIKey of 5-[[(2R)-2-amino-4-methylpentanoyl]amino]hexanoic acid?
The InChIKey is QUJFJWKECPLEFV-QVDQXJPCSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-8(2)7-10(13)12(17)14-9(3)5-4-6-11(15)16/h8-10H,4-7,13H2,1-3H3,(H,14,17)(H,15,16)/t9?,10-/m1/s1.
What are the key properties of 5-[[(2R)-2-amino-4-methylpentanoyl]amino]hexanoic acid?
5-[[(2R)-2-amino-4-methylpentanoyl]amino]hexanoic acid has a molecular weight of 244.33 g/mol, XLogP of 1.12, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-2-amino-4-methylpentanoyl]amino]hexanoic acid is sourced from PubChem (CID 104903890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).