(3S)-3-[[(2S)-3-amino-2-methylpropanoyl]amino]-5-methylhexanoic acid

C11H22N2O3 — CID 23630523

IUPAC(3S)-3-[[(2S)-3-amino-2-methylpropanoyl]amino]-5-methylhexanoic acid
SMILESCC(C)C[C@@H](CC(=O)O)NC(=O)[C@@H](C)CN
InChIInChI=1S/C11H22N2O3/c1-7(2)4-9(5-10(14)15)13-11(16)8(3)6-12/h7-9H,4-6,12H2,1-3H3,(H,13,16)(H,14,15)/t8-,9-/m0/s1
InChIKeyFGRYLRZBYRVTPI-IUCAKERBSA-N
MW230.31 g/mol
LogP0.59
Rot. Bonds7

About (3S)-3-[[(2S)-3-amino-2-methylpropanoyl]amino]-5-methylhexanoic acid

(3S)-3-[[(2S)-3-amino-2-methylpropanoyl]amino]-5-methylhexanoic acid (PubChem CID 23630523) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is (3S)-3-[[(2S)-3-amino-2-methylpropanoyl]amino]-5-methylhexanoic acid.

Molecular Properties

Compound Name(3S)-3-[[(2S)-3-amino-2-methylpropanoyl]amino]-5-methylhexanoic acid
PubChem CID23630523
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name(3S)-3-[[(2S)-3-amino-2-methylpropanoyl]amino]-5-methylhexanoic acid
SMILESCC(C)C[C@@H](CC(=O)O)NC(=O)[C@@H](C)CN
InChIInChI=1S/C11H22N2O3/c1-7(2)4-9(5-10(14)15)13-11(16)8(3)6-12/h7-9H,4-6,12H2,1-3H3,(H,13,16)(H,14,15)/t8-,9-/m0/s1
InChIKeyFGRYLRZBYRVTPI-IUCAKERBSA-N
XLogP0.59
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 ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-3-((S)-Hexadecanoylamino)-5-methyl-hexanoic acid
CID 10385302
6-Acetamido-3-aminohexanoic acid
CID 440139
(R)-3-((S)-Decanoylamino)-5-methyl-hexanoic acid
CID 10380017
(3S)-7-amino-3-[[(3S)-3-aminobutanoyl]amino]heptanoic acid
CID 23630629
(3S)-3-[[(3S)-3-aminobutanoyl]amino]-5-methylhexanoic acid
CID 23630821
6-Acetamido-3-aminohexanoic acid;dihydrochloride
CID 168275095
Peripentonine C
CID 24762741
H-Beta-Ala-Leu-OH
CID 7004893
(3S)-3-{[(tert-butoxy)carbonyl]amino}-5-methylhexanoic acid
CID 2761526
2-(5-Oxopyrrolidin-2-yl)propanoic acid
CID 53961578
3-Acetamido-5,5-dimethylhexanoic acid
CID 10442807
lauroyl-bLys(R)-bLeu(S)-bLeu(S)-bLys(R)-OH
CID 53319419

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[(2S)-3-amino-2-methylpropanoyl]amino]-5-methylhexanoic acid?
The IUPAC name of (3S)-3-[[(2S)-3-amino-2-methylpropanoyl]amino]-5-methylhexanoic acid (CID 23630523) is (3S)-3-[[(2S)-3-amino-2-methylpropanoyl]amino]-5-methylhexanoic acid.
What is the SMILES notation for (3S)-3-[[(2S)-3-amino-2-methylpropanoyl]amino]-5-methylhexanoic acid?
The canonical SMILES for (3S)-3-[[(2S)-3-amino-2-methylpropanoyl]amino]-5-methylhexanoic acid is CC(C)C[C@@H](CC(=O)O)NC(=O)[C@@H](C)CN.
What is the InChIKey of (3S)-3-[[(2S)-3-amino-2-methylpropanoyl]amino]-5-methylhexanoic acid?
The InChIKey is FGRYLRZBYRVTPI-IUCAKERBSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-7(2)4-9(5-10(14)15)13-11(16)8(3)6-12/h7-9H,4-6,12H2,1-3H3,(H,13,16)(H,14,15)/t8-,9-/m0/s1.
What are the key properties of (3S)-3-[[(2S)-3-amino-2-methylpropanoyl]amino]-5-methylhexanoic acid?
(3S)-3-[[(2S)-3-amino-2-methylpropanoyl]amino]-5-methylhexanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.59, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[(2S)-3-amino-2-methylpropanoyl]amino]-5-methylhexanoic acid is sourced from PubChem (CID 23630523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).