(2R)-3,3-dimethyl-2-(pent-4-enoylamino)butanoic acid

C11H19NO3 — CID 103926333

IUPAC(2R)-3,3-dimethyl-2-(pent-4-enoylamino)butanoic acid
SMILESC=CCCC(=O)N[C@@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C11H19NO3/c1-5-6-7-8(13)12-9(10(14)15)11(2,3)4/h5,9H,1,6-7H2,2-4H3,(H,12,13)(H,14,15)/t9-/m0/s1
InChIKeyYNKKMVVCPORFSY-VIFPVBQESA-N
MW213.28 g/mol
LogP1.57
Rot. Bonds5

About (2R)-3,3-dimethyl-2-(pent-4-enoylamino)butanoic acid

(2R)-3,3-dimethyl-2-(pent-4-enoylamino)butanoic acid (PubChem CID 103926333) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is (2R)-3,3-dimethyl-2-(pent-4-enoylamino)butanoic acid.

Molecular Properties

Compound Name(2R)-3,3-dimethyl-2-(pent-4-enoylamino)butanoic acid
PubChem CID103926333
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name(2R)-3,3-dimethyl-2-(pent-4-enoylamino)butanoic acid
SMILESC=CCCC(=O)N[C@@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C11H19NO3/c1-5-6-7-8(13)12-9(10(14)15)11(2,3)4/h5,9H,1,6-7H2,2-4H3,(H,12,13)(H,14,15)/t9-/m0/s1
InChIKeyYNKKMVVCPORFSY-VIFPVBQESA-N
XLogP1.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.57
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

3,3-dimethyl-2-[(2-prop-2-enylsulfanylacetyl)amino]butanoic acid
CID 115730737
3,3-dimethyl-2-[4-(methylamino)butanoylamino]butanoic acid
CID 61161007
2-(3-ethylsulfanylpropanoylamino)-3,3-dimethylbutanoic acid
CID 115730734
2-[3-(tert-butylamino)propanoylamino]-3,3-dimethylbutanoic acid
CID 61161778
(2R)-2-[3-(ethylamino)propanoylamino]-3,3-dimethylbutanoic acid
CID 103927366
(2S)-2-(hex-5-enylamino)-3,3-dimethylbutanoic acid
CID 58005101
(2S)-2-(3-acetamidopropanoylamino)-3,3-dimethylbutanoic acid
CID 61144264
(2R)-3,3-dimethyl-2-(3-methylsulfonylpropanoylamino)butanoic acid
CID 93054880
2-(hex-5-enoxycarbonylamino)-3,3-dimethylbutanoic acid
CID 75113125
3-(pent-4-enoylamino)butanoic acid
CID 62683470
(2S)-2-[3-(2,2-dimethylpropanoylamino)propanoylamino]-3,3-dimethylbutanoic acid
CID 61143118
(2S)-3,3-dimethyl-2-[(2-methylsulfanylacetyl)amino]butanoic acid
CID 61144091

Frequently Asked Questions

What is the IUPAC name of (2R)-3,3-dimethyl-2-(pent-4-enoylamino)butanoic acid?
The IUPAC name of (2R)-3,3-dimethyl-2-(pent-4-enoylamino)butanoic acid (CID 103926333) is (2R)-3,3-dimethyl-2-(pent-4-enoylamino)butanoic acid.
What is the SMILES notation for (2R)-3,3-dimethyl-2-(pent-4-enoylamino)butanoic acid?
The canonical SMILES for (2R)-3,3-dimethyl-2-(pent-4-enoylamino)butanoic acid is C=CCCC(=O)N[C@@H](C(=O)O)C(C)(C)C.
What is the InChIKey of (2R)-3,3-dimethyl-2-(pent-4-enoylamino)butanoic acid?
The InChIKey is YNKKMVVCPORFSY-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19NO3/c1-5-6-7-8(13)12-9(10(14)15)11(2,3)4/h5,9H,1,6-7H2,2-4H3,(H,12,13)(H,14,15)/t9-/m0/s1.
What are the key properties of (2R)-3,3-dimethyl-2-(pent-4-enoylamino)butanoic acid?
(2R)-3,3-dimethyl-2-(pent-4-enoylamino)butanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3-dimethyl-2-(pent-4-enoylamino)butanoic acid is sourced from PubChem (CID 103926333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).