2-(2-methylpent-4-enoxycarbonylamino)acetic acid

C9H15NO4 — CID 143403934

IUPAC2-(2-methylpent-4-enoxycarbonylamino)acetic acid
SMILESC=CCC(C)COC(=O)NCC(=O)O
InChIInChI=1S/C9H15NO4/c1-3-4-7(2)6-14-9(13)10-5-8(11)12/h3,7H,1,4-6H2,2H3,(H,10,13)(H,11,12)
InChIKeyGPYCWWJDOBGJET-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.01
Rot. Bonds6

About 2-(2-methylpent-4-enoxycarbonylamino)acetic acid

2-(2-methylpent-4-enoxycarbonylamino)acetic acid (PubChem CID 143403934) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-(2-methylpent-4-enoxycarbonylamino)acetic acid.

Molecular Properties

Compound Name2-(2-methylpent-4-enoxycarbonylamino)acetic acid
PubChem CID143403934
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-(2-methylpent-4-enoxycarbonylamino)acetic acid
SMILESC=CCC(C)COC(=O)NCC(=O)O
InChIInChI=1S/C9H15NO4/c1-3-4-7(2)6-14-9(13)10-5-8(11)12/h3,7H,1,4-6H2,2H3,(H,10,13)(H,11,12)
InChIKeyGPYCWWJDOBGJET-UHFFFAOYSA-N
XLogP1.01
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Methyl-N-{[(pent-4-en-1-yl)oxy]carbonyl}-L-valine
CID 45379928
(2S)-3-methyl-2-(pent-4-enoxycarbonylamino)butanoic acid
CID 45378509
Pent-4-en-1-yl 2-{[(tert-butoxy)carbonyl]amino}acetate
CID 57341165
n-{[(2,2-Dimethylpent-4-en-1-yl)oxy]carbonyl}-3-methyl-l-valine
CID 57389288
(2S)-2-(but-3-enoxycarbonylamino)-3-methylbutanoic acid
CID 57617147
(2S)-2-(pent-4-enoxycarbonylamino)propanoic acid
CID 57617176
(2S)-3-methyl-2-(2-methylpent-4-enoxycarbonylamino)butanoic acid
CID 59584928
(2S)-2-(hex-5-enoxycarbonylamino)-3-methylbutanoic acid
CID 59584943
(2S)-3,3-dimethyl-2-(2-methylpent-4-enoxycarbonylamino)butanoic acid
CID 59584944
(2S)-2-(2,2-dimethylpent-4-enoxycarbonylamino)-3-methylbutanoic acid
CID 59584948
3,3-Dimethyl-2-(pent-4-enoxycarbonylamino)butanoic acid
CID 75113872
2-(2,2-Dimethylpent-4-enoxycarbonylamino)-3,3-dimethylbutanoic acid
CID 76534440

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpent-4-enoxycarbonylamino)acetic acid?
The IUPAC name of 2-(2-methylpent-4-enoxycarbonylamino)acetic acid (CID 143403934) is 2-(2-methylpent-4-enoxycarbonylamino)acetic acid.
What is the SMILES notation for 2-(2-methylpent-4-enoxycarbonylamino)acetic acid?
The canonical SMILES for 2-(2-methylpent-4-enoxycarbonylamino)acetic acid is C=CCC(C)COC(=O)NCC(=O)O.
What is the InChIKey of 2-(2-methylpent-4-enoxycarbonylamino)acetic acid?
The InChIKey is GPYCWWJDOBGJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-3-4-7(2)6-14-9(13)10-5-8(11)12/h3,7H,1,4-6H2,2H3,(H,10,13)(H,11,12).
What are the key properties of 2-(2-methylpent-4-enoxycarbonylamino)acetic acid?
2-(2-methylpent-4-enoxycarbonylamino)acetic acid has a molecular weight of 201.22 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpent-4-enoxycarbonylamino)acetic acid is sourced from PubChem (CID 143403934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).