2-amino-3-methyl-2-prop-2-enoxycarbonylpentanoic acid

C10H17NO4 — CID 174554815

IUPAC2-amino-3-methyl-2-prop-2-enoxycarbonylpentanoic acid
SMILESC=CCOC(=O)C(N)(C(=O)O)C(C)CC
InChIInChI=1S/C10H17NO4/c1-4-6-15-9(14)10(11,8(12)13)7(3)5-2/h4,7H,1,5-6,11H2,2-3H3,(H,12,13)
InChIKeyNVGVCXDDTZIHRC-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.54
Rot. Bonds6

About 2-amino-3-methyl-2-prop-2-enoxycarbonylpentanoic acid

2-amino-3-methyl-2-prop-2-enoxycarbonylpentanoic acid (PubChem CID 174554815) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-amino-3-methyl-2-prop-2-enoxycarbonylpentanoic acid.

Molecular Properties

Compound Name2-amino-3-methyl-2-prop-2-enoxycarbonylpentanoic acid
PubChem CID174554815
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name2-amino-3-methyl-2-prop-2-enoxycarbonylpentanoic acid
SMILESC=CCOC(=O)C(N)(C(=O)O)C(C)CC
InChIInChI=1S/C10H17NO4/c1-4-6-15-9(14)10(11,8(12)13)7(3)5-2/h4,7H,1,5-6,11H2,2-3H3,(H,12,13)
InChIKeyNVGVCXDDTZIHRC-UHFFFAOYSA-N
XLogP0.54
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S,3R)-2-amino-2-hydroxy-3-methylpentanoic acid
CID 91314303
(2S)-2-amino-2-hydroxy-3-methylpentanoic acid
CID 143658078
prop-2-enyl 2,2-dimethylbutanoate
CID 18714422
2-(dimethylamino)propanoic acid;prop-2-enyl 2-amino-2-methylpropanoate
CID 174301541
nickel;prop-2-enyl 2,2,2-trifluoroacetate
CID 88780784
palladium;prop-2-enyl 2,2,2-trifluoroacetate
CID 175036312
1-O-ethyl 4-O-prop-2-enyl 2,2,3,3-tetramethylbutanedioate
CID 59122625
prop-2-enyl 2,2-dibromobutanoate
CID 88675636
prop-2-enyl 2-aminopropanoate
CID 91515395
prop-2-enyl 2,4-dimethyl-2-propylpentanoate
CID 166811220
prop-2-enyl 2-methylpent-4-enoate
CID 59817388
prop-2-enyl 2-chloro-2-methylpropanoate
CID 21285838

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-2-prop-2-enoxycarbonylpentanoic acid?
The IUPAC name of 2-amino-3-methyl-2-prop-2-enoxycarbonylpentanoic acid (CID 174554815) is 2-amino-3-methyl-2-prop-2-enoxycarbonylpentanoic acid.
What is the SMILES notation for 2-amino-3-methyl-2-prop-2-enoxycarbonylpentanoic acid?
The canonical SMILES for 2-amino-3-methyl-2-prop-2-enoxycarbonylpentanoic acid is C=CCOC(=O)C(N)(C(=O)O)C(C)CC.
What is the InChIKey of 2-amino-3-methyl-2-prop-2-enoxycarbonylpentanoic acid?
The InChIKey is NVGVCXDDTZIHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-4-6-15-9(14)10(11,8(12)13)7(3)5-2/h4,7H,1,5-6,11H2,2-3H3,(H,12,13).
What are the key properties of 2-amino-3-methyl-2-prop-2-enoxycarbonylpentanoic acid?
2-amino-3-methyl-2-prop-2-enoxycarbonylpentanoic acid has a molecular weight of 215.25 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-2-prop-2-enoxycarbonylpentanoic acid is sourced from PubChem (CID 174554815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).