2-(methylamino)-3-[methyl(prop-2-enyl)amino]propanoic acid

C8H16N2O2 — CID 21301390

IUPAC2-(methylamino)-3-[methyl(prop-2-enyl)amino]propanoic acid
SMILESC=CCN(C)CC(NC)C(=O)O
InChIInChI=1S/C8H16N2O2/c1-4-5-10(3)6-7(9-2)8(11)12/h4,7,9H,1,5-6H2,2-3H3,(H,11,12)
InChIKeyBXDMSBLZPNLZPY-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.22
Rot. Bonds6

About 2-(methylamino)-3-[methyl(prop-2-enyl)amino]propanoic acid

2-(methylamino)-3-[methyl(prop-2-enyl)amino]propanoic acid (PubChem CID 21301390) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-(methylamino)-3-[methyl(prop-2-enyl)amino]propanoic acid.

Molecular Properties

Compound Name2-(methylamino)-3-[methyl(prop-2-enyl)amino]propanoic acid
PubChem CID21301390
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name2-(methylamino)-3-[methyl(prop-2-enyl)amino]propanoic acid
SMILESC=CCN(C)CC(NC)C(=O)O
InChIInChI=1S/C8H16N2O2/c1-4-5-10(3)6-7(9-2)8(11)12/h4,7,9H,1,5-6H2,2-3H3,(H,11,12)
InChIKeyBXDMSBLZPNLZPY-UHFFFAOYSA-N
XLogP-0.22
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.22
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-{[2-(Dimethylamino)ethyl]amino}-2-(methylamino)propanoic acid
CID 117574460
2,3-Bis(prop-2-enylamino)butanedioic acid
CID 13186906
2-(Dipropylamino)-3-(methylamino)propanoic acid
CID 58731521
2-(Dimethylamino)-3-(propan-2-ylamino)propanoic acid
CID 58933403
2-[Bis(carboxymethyl)amino]-3-(ethylamino)propanoic acid
CID 59344492
(2S)-2-(methylamino)-3-(prop-2-enylamino)propanoic acid
CID 59882209
(2S)-2-(methylamino)-3-[methyl(prop-2-enyl)amino]propanoic acid
CID 59882216
2-Amino-3-(prop-2-enylamino)propanoic acid
CID 64581240
1-Prop-2-enylpiperazine-2-carboxylic acid
CID 65629696
3-Amino-2-(prop-2-enylamino)propanoic acid
CID 65815460
2,3,4,5-tetrahydro-1H-1,4-diazepine-2-carboxylic acid
CID 67614368
2-Amino-3-(2,5-dihydropyrrol-1-yl)propanoic acid
CID 69404602

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-3-[methyl(prop-2-enyl)amino]propanoic acid?
The IUPAC name of 2-(methylamino)-3-[methyl(prop-2-enyl)amino]propanoic acid (CID 21301390) is 2-(methylamino)-3-[methyl(prop-2-enyl)amino]propanoic acid.
What is the SMILES notation for 2-(methylamino)-3-[methyl(prop-2-enyl)amino]propanoic acid?
The canonical SMILES for 2-(methylamino)-3-[methyl(prop-2-enyl)amino]propanoic acid is C=CCN(C)CC(NC)C(=O)O.
What is the InChIKey of 2-(methylamino)-3-[methyl(prop-2-enyl)amino]propanoic acid?
The InChIKey is BXDMSBLZPNLZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-4-5-10(3)6-7(9-2)8(11)12/h4,7,9H,1,5-6H2,2-3H3,(H,11,12).
What are the key properties of 2-(methylamino)-3-[methyl(prop-2-enyl)amino]propanoic acid?
2-(methylamino)-3-[methyl(prop-2-enyl)amino]propanoic acid has a molecular weight of 172.23 g/mol, XLogP of -0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-3-[methyl(prop-2-enyl)amino]propanoic acid is sourced from PubChem (CID 21301390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).