(2R)-2-[(6-amino-4,4-dimethylhexanoyl)amino]propanoic acid

C11H22N2O3 — CID 65291208

IUPAC(2R)-2-[(6-amino-4,4-dimethylhexanoyl)amino]propanoic acid
SMILESC[C@@H](NC(=O)CCC(C)(C)CCN)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-8(10(15)16)13-9(14)4-5-11(2,3)6-7-12/h8H,4-7,12H2,1-3H3,(H,13,14)(H,15,16)/t8-/m1/s1
InChIKeyQKUVESBBJIGCMN-MRVPVSSYSA-N
MW230.31 g/mol
LogP0.73
Rot. Bonds7

About (2R)-2-[(6-amino-4,4-dimethylhexanoyl)amino]propanoic acid

(2R)-2-[(6-amino-4,4-dimethylhexanoyl)amino]propanoic acid (PubChem CID 65291208) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is (2R)-2-[(6-amino-4,4-dimethylhexanoyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(6-amino-4,4-dimethylhexanoyl)amino]propanoic acid
PubChem CID65291208
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name(2R)-2-[(6-amino-4,4-dimethylhexanoyl)amino]propanoic acid
SMILESC[C@@H](NC(=O)CCC(C)(C)CCN)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-8(10(15)16)13-9(14)4-5-11(2,3)6-7-12/h8H,4-7,12H2,1-3H3,(H,13,14)(H,15,16)/t8-/m1/s1
InChIKeyQKUVESBBJIGCMN-MRVPVSSYSA-N
XLogP0.73
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-[(6-amino-4,4-dimethylhexanoyl)amino]propanoate
CID 65290947
(2S)-2-[(6-amino-4,4-dimethylhexanoyl)amino]-4-methylpentanoic acid
CID 79005179
6-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4,4-dimethylhexanamide
CID 79250281
6-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-4,4-dimethylhexanamide
CID 65290645
6-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4,4-dimethylhexanamide
CID 103109224
6-amino-N-[(2S)-1-hydroxybutan-2-yl]-4,4-dimethylhexanamide
CID 107222403
6-amino-N-[(2R)-1-hydroxybutan-2-yl]-4,4-dimethylhexanamide
CID 107221314
5-amino-2-[(6-amino-4,4-dimethylhexanoyl)amino]-5-oxopentanoic acid
CID 65292107
6-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4,4-dimethylhexanamide
CID 106350089
2-[(6-amino-4,4-dimethylhexanoyl)amino]-2-phenylacetic acid
CID 65292247
6-amino-N-(1-ethylsulfanylpropan-2-yl)-4,4-dimethylhexanamide
CID 113499092
(2S)-2-(3-hydroxypropanoylamino)propanoic acid
CID 126726083

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(6-amino-4,4-dimethylhexanoyl)amino]propanoic acid?
The IUPAC name of (2R)-2-[(6-amino-4,4-dimethylhexanoyl)amino]propanoic acid (CID 65291208) is (2R)-2-[(6-amino-4,4-dimethylhexanoyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[(6-amino-4,4-dimethylhexanoyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[(6-amino-4,4-dimethylhexanoyl)amino]propanoic acid is C[C@@H](NC(=O)CCC(C)(C)CCN)C(=O)O.
What is the InChIKey of (2R)-2-[(6-amino-4,4-dimethylhexanoyl)amino]propanoic acid?
The InChIKey is QKUVESBBJIGCMN-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-8(10(15)16)13-9(14)4-5-11(2,3)6-7-12/h8H,4-7,12H2,1-3H3,(H,13,14)(H,15,16)/t8-/m1/s1.
What are the key properties of (2R)-2-[(6-amino-4,4-dimethylhexanoyl)amino]propanoic acid?
(2R)-2-[(6-amino-4,4-dimethylhexanoyl)amino]propanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.73, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(6-amino-4,4-dimethylhexanoyl)amino]propanoic acid is sourced from PubChem (CID 65291208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).