(2R)-2-[methyl-[(3R)-3-methylhexanoyl]amino]propanoic acid

C11H21NO3 — CID 97233974

IUPAC(2R)-2-[methyl-[(3R)-3-methylhexanoyl]amino]propanoic acid
SMILESCCC[C@@H](C)CC(=O)N(C)[C@H](C)C(=O)O
InChIInChI=1S/C11H21NO3/c1-5-6-8(2)7-10(13)12(4)9(3)11(14)15/h8-9H,5-7H2,1-4H3,(H,14,15)/t8-,9-/m1/s1
InChIKeyNLTQJHQUWJTMRY-RKDXNWHRSA-N
MW215.29 g/mol
LogP1.74
Rot. Bonds6

About (2R)-2-[methyl-[(3R)-3-methylhexanoyl]amino]propanoic acid

(2R)-2-[methyl-[(3R)-3-methylhexanoyl]amino]propanoic acid (PubChem CID 97233974) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is (2R)-2-[methyl-[(3R)-3-methylhexanoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[methyl-[(3R)-3-methylhexanoyl]amino]propanoic acid
PubChem CID97233974
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name(2R)-2-[methyl-[(3R)-3-methylhexanoyl]amino]propanoic acid
SMILESCCC[C@@H](C)CC(=O)N(C)[C@H](C)C(=O)O
InChIInChI=1S/C11H21NO3/c1-5-6-8(2)7-10(13)12(4)9(3)11(14)15/h8-9H,5-7H2,1-4H3,(H,14,15)/t8-,9-/m1/s1
InChIKeyNLTQJHQUWJTMRY-RKDXNWHRSA-N
XLogP1.74
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N,N,3-trimethylhexanamide
CID 170848594
2-[methyl(3,5,5-trimethylhexanoyl)amino]propanoic acid
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CID 62639644
2-[methyl(pentanoyl)amino]propanoic acid
CID 62627616
2-[heptanoyl(methyl)amino]propanoic acid
CID 62626215
(2S)-2-[methyl(octadecanoyl)amino]propanoic acid
CID 20689915
3-[[(1S)-1-carboxyethyl]-methylamino]-3-oxopropanoic acid
CID 121390047
ethane;4-methylheptan-2-one
CID 142986053
(2S)-2-[methyl(4-sulfanylpentanoyl)amino]propanoic acid
CID 145294959
(2S)-2-[3-(dimethylamino)propanoyl-methylamino]propanoic acid
CID 118568669
(2R)-2-[methyl-(2-pentoxyacetyl)amino]propanoic acid
CID 97098347
2-[(2-cyclopentylacetyl)-methylamino]propanoic acid
CID 62625647

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[methyl-[(3R)-3-methylhexanoyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[methyl-[(3R)-3-methylhexanoyl]amino]propanoic acid (CID 97233974) is (2R)-2-[methyl-[(3R)-3-methylhexanoyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[methyl-[(3R)-3-methylhexanoyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[methyl-[(3R)-3-methylhexanoyl]amino]propanoic acid is CCC[C@@H](C)CC(=O)N(C)[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[methyl-[(3R)-3-methylhexanoyl]amino]propanoic acid?
The InChIKey is NLTQJHQUWJTMRY-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H21NO3/c1-5-6-8(2)7-10(13)12(4)9(3)11(14)15/h8-9H,5-7H2,1-4H3,(H,14,15)/t8-,9-/m1/s1.
What are the key properties of (2R)-2-[methyl-[(3R)-3-methylhexanoyl]amino]propanoic acid?
(2R)-2-[methyl-[(3R)-3-methylhexanoyl]amino]propanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[methyl-[(3R)-3-methylhexanoyl]amino]propanoic acid is sourced from PubChem (CID 97233974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).