(2S)-3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoic acid

C10H19NO2 — CID 10535522

IUPAC(2S)-3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoic acid
SMILESC=CC(C)(C)N[C@H](C(=O)O)C(C)C
InChIInChI=1S/C10H19NO2/c1-6-10(4,5)11-8(7(2)3)9(12)13/h6-8,11H,1H2,2-5H3,(H,12,13)/t8-/m0/s1
InChIKeyRGYYZMDWNBLQQX-QMMMGPOBSA-N
MW185.27 g/mol
LogP1.65
Rot. Bonds5

About (2S)-3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoic acid

(2S)-3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoic acid (PubChem CID 10535522) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (2S)-3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoic acid
PubChem CID10535522
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(2S)-3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoic acid
SMILESC=CC(C)(C)N[C@H](C(=O)O)C(C)C
InChIInChI=1S/C10H19NO2/c1-6-10(4,5)11-8(7(2)3)9(12)13/h6-8,11H,1H2,2-5H3,(H,12,13)/t8-/m0/s1
InChIKeyRGYYZMDWNBLQQX-QMMMGPOBSA-N
XLogP1.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

t-Butyl valine
CID 12837673
(2R)-3-methyl-2-[[(2R)-1,1,1-trifluoro-3,3-dimethylpent-4-en-2-yl]amino]butanoic acid
CID 118176157
(2S)-3-methyl-2-[[(2R)-1,1,1-trifluoro-3,3-dimethylpent-4-en-2-yl]amino]butanoic acid
CID 118176158
(2S)-3-methyl-2-[[(2S)-1,1,1-trifluoro-3,3-dimethylpent-4-en-2-yl]amino]butanoic acid
CID 118176179
3-Methyl-2-[(1,1,1-trifluoro-3,3-dimethylpent-4-en-2-yl)amino]butanoic acid
CID 145680976
3-methyl-2-[[(2R)-1,1,1-trifluoro-3,3-dimethylpent-4-en-2-yl]amino]butanoic acid
CID 145681098
(2S)-2-(1-hydroxybut-3-en-2-ylamino)-3-methylbutanoic acid
CID 54358626
N-vinylacetyl-l-valine
CID 62678159
N-(2-hydroxybutenyl)-valine
CID 129736291
a-allyl-N-(2-propynyl)glycine methyl ester
CID 129747300
2-(Tert-butylamino)-3-methylbutanoic acid
CID 12837672
N-3-Buten-1-ylvaline
CID 20341504

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoic acid?
The IUPAC name of (2S)-3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoic acid (CID 10535522) is (2S)-3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoic acid.
What is the SMILES notation for (2S)-3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoic acid?
The canonical SMILES for (2S)-3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoic acid is C=CC(C)(C)N[C@H](C(=O)O)C(C)C.
What is the InChIKey of (2S)-3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoic acid?
The InChIKey is RGYYZMDWNBLQQX-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H19NO2/c1-6-10(4,5)11-8(7(2)3)9(12)13/h6-8,11H,1H2,2-5H3,(H,12,13)/t8-/m0/s1.
What are the key properties of (2S)-3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoic acid?
(2S)-3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoic acid has a molecular weight of 185.27 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoic acid is sourced from PubChem (CID 10535522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).