(2S)-3-methyl-2-(3-methylpentanoylamino)butanoic acid

C11H21NO3 — CID 104982198

IUPAC(2S)-3-methyl-2-(3-methylpentanoylamino)butanoic acid
SMILESCCC(C)CC(=O)N[C@H](C(=O)O)C(C)C
InChIInChI=1S/C11H21NO3/c1-5-8(4)6-9(13)12-10(7(2)3)11(14)15/h7-8,10H,5-6H2,1-4H3,(H,12,13)(H,14,15)/t8?,10-/m0/s1
InChIKeyRDGFXRFPNLQDJS-HTLJXXAVSA-N
MW215.29 g/mol
LogP1.65
Rot. Bonds6

About (2S)-3-methyl-2-(3-methylpentanoylamino)butanoic acid

(2S)-3-methyl-2-(3-methylpentanoylamino)butanoic acid (PubChem CID 104982198) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is (2S)-3-methyl-2-(3-methylpentanoylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-3-methyl-2-(3-methylpentanoylamino)butanoic acid
PubChem CID104982198
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name(2S)-3-methyl-2-(3-methylpentanoylamino)butanoic acid
SMILESCCC(C)CC(=O)N[C@H](C(=O)O)C(C)C
InChIInChI=1S/C11H21NO3/c1-5-8(4)6-9(13)12-10(7(2)3)11(14)15/h7-8,10H,5-6H2,1-4H3,(H,12,13)(H,14,15)/t8?,10-/m0/s1
InChIKeyRDGFXRFPNLQDJS-HTLJXXAVSA-N
XLogP1.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-2-(3-methylpentanoylamino)butanoic acid
CID 114873567
(2S)-2-(3,3-diaminopropanoylamino)-3-methylbutanoic acid
CID 18639227
(2S,3S)-2-(3,4-dimethylpentanoylamino)-3-methylpentanoic acid
CID 119193969
2-[(2-carboxyacetyl)amino]-3-methylbutanoic acid
CID 62232475
2-(3,5-dimethylhexanoylamino)-3-methylpentanoic acid
CID 119211507
(2S)-2-(3-hydroxypropanoylamino)-3-methylbutanoic acid
CID 87567267
(2S)-2-[[2-(chloroamino)acetyl]amino]-3-methylbutanoic acid
CID 102019018
N-(1-bromopropan-2-yl)-3-methylpentanamide
CID 114876990
2-(3-methylpentanoylamino)pent-4-ynoic acid
CID 114873842
(2S)-2-[(5-amino-4-methylpentanoyl)amino]-3-methylbutanoic acid
CID 82010947
2-(hexadecanoylamino)-3-methylbutanoic acid
CID 3687398
(2R)-3-methyl-2-(nonanoylamino)butanoic acid
CID 79010632

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-(3-methylpentanoylamino)butanoic acid?
The IUPAC name of (2S)-3-methyl-2-(3-methylpentanoylamino)butanoic acid (CID 104982198) is (2S)-3-methyl-2-(3-methylpentanoylamino)butanoic acid.
What is the SMILES notation for (2S)-3-methyl-2-(3-methylpentanoylamino)butanoic acid?
The canonical SMILES for (2S)-3-methyl-2-(3-methylpentanoylamino)butanoic acid is CCC(C)CC(=O)N[C@H](C(=O)O)C(C)C.
What is the InChIKey of (2S)-3-methyl-2-(3-methylpentanoylamino)butanoic acid?
The InChIKey is RDGFXRFPNLQDJS-HTLJXXAVSA-N. The full InChI is InChI=1S/C11H21NO3/c1-5-8(4)6-9(13)12-10(7(2)3)11(14)15/h7-8,10H,5-6H2,1-4H3,(H,12,13)(H,14,15)/t8?,10-/m0/s1.
What are the key properties of (2S)-3-methyl-2-(3-methylpentanoylamino)butanoic acid?
(2S)-3-methyl-2-(3-methylpentanoylamino)butanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-(3-methylpentanoylamino)butanoic acid is sourced from PubChem (CID 104982198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).