2-[2-methylpentan-3-yl(prop-2-enyl)amino]acetic acid

C11H21NO2 — CID 79285638

IUPAC2-[2-methylpentan-3-yl(prop-2-enyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)C(CC)C(C)C
InChIInChI=1S/C11H21NO2/c1-5-7-12(8-11(13)14)10(6-2)9(3)4/h5,9-10H,1,6-8H2,2-4H3,(H,13,14)
InChIKeyPUYDJKKFYWSPNT-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.99
Rot. Bonds7

About 2-[2-methylpentan-3-yl(prop-2-enyl)amino]acetic acid

2-[2-methylpentan-3-yl(prop-2-enyl)amino]acetic acid (PubChem CID 79285638) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-[2-methylpentan-3-yl(prop-2-enyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methylpentan-3-yl(prop-2-enyl)amino]acetic acid
PubChem CID79285638
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-[2-methylpentan-3-yl(prop-2-enyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)C(CC)C(C)C
InChIInChI=1S/C11H21NO2/c1-5-7-12(8-11(13)14)10(6-2)9(3)4/h5,9-10H,1,6-8H2,2-4H3,(H,13,14)
InChIKeyPUYDJKKFYWSPNT-UHFFFAOYSA-N
XLogP1.99
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-aminoethyl(prop-2-enyl)amino]acetic acid
CID 87192330
2-[1-methoxybutan-2-yl(prop-2-enyl)amino]acetic acid
CID 79285042
2-[(4-methoxy-4-methylpentan-2-yl)-prop-2-enylamino]acetic acid
CID 79285806
2-[(1-amino-1-oxopropan-2-yl)-prop-2-enylamino]acetic acid
CID 79276754
2-[2-(dimethylamino)ethyl-(2-methylpentan-3-yl)amino]acetic acid
CID 107426132
2-[1-cyclopropylethyl(prop-2-enyl)amino]acetic acid
CID 79285826
2-[methyl(2-methylpentan-3-yl)amino]acetic acid
CID 65056587
2-[[(2S,3S)-2-amino-3-methylpentanoyl]-prop-2-enylamino]acetic acid
CID 79263366
2-[1-(2-hydroxyphenyl)propyl-prop-2-enylamino]acetic acid
CID 79285321
2-[but-3-en-2-yl(ethyl)amino]acetic acid
CID 62381772
2-[2-ethylbutanoyl(prop-2-enyl)amino]acetic acid
CID 79265150
2-[prop-2-enyl(1-thiophen-2-ylpropyl)amino]acetic acid
CID 79284969

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpentan-3-yl(prop-2-enyl)amino]acetic acid?
The IUPAC name of 2-[2-methylpentan-3-yl(prop-2-enyl)amino]acetic acid (CID 79285638) is 2-[2-methylpentan-3-yl(prop-2-enyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methylpentan-3-yl(prop-2-enyl)amino]acetic acid?
The canonical SMILES for 2-[2-methylpentan-3-yl(prop-2-enyl)amino]acetic acid is C=CCN(CC(=O)O)C(CC)C(C)C.
What is the InChIKey of 2-[2-methylpentan-3-yl(prop-2-enyl)amino]acetic acid?
The InChIKey is PUYDJKKFYWSPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-7-12(8-11(13)14)10(6-2)9(3)4/h5,9-10H,1,6-8H2,2-4H3,(H,13,14).
What are the key properties of 2-[2-methylpentan-3-yl(prop-2-enyl)amino]acetic acid?
2-[2-methylpentan-3-yl(prop-2-enyl)amino]acetic acid has a molecular weight of 199.29 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpentan-3-yl(prop-2-enyl)amino]acetic acid is sourced from PubChem (CID 79285638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).