2-acetamido-3-[bis(prop-2-enyl)amino]propanoic acid

C11H18N2O3 — CID 64582917

IUPAC2-acetamido-3-[bis(prop-2-enyl)amino]propanoic acid
SMILESC=CCN(CC=C)CC(NC(C)=O)C(=O)O
InChIInChI=1S/C11H18N2O3/c1-4-6-13(7-5-2)8-10(11(15)16)12-9(3)14/h4-5,10H,1-2,6-8H2,3H3,(H,12,14)(H,15,16)
InChIKeyHNUBXJFPNZAVEH-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.25
Rot. Bonds8

About 2-acetamido-3-[bis(prop-2-enyl)amino]propanoic acid

2-acetamido-3-[bis(prop-2-enyl)amino]propanoic acid (PubChem CID 64582917) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-acetamido-3-[bis(prop-2-enyl)amino]propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-[bis(prop-2-enyl)amino]propanoic acid
PubChem CID64582917
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-acetamido-3-[bis(prop-2-enyl)amino]propanoic acid
SMILESC=CCN(CC=C)CC(NC(C)=O)C(=O)O
InChIInChI=1S/C11H18N2O3/c1-4-6-13(7-5-2)8-10(11(15)16)12-9(3)14/h4-5,10H,1-2,6-8H2,3H3,(H,12,14)(H,15,16)
InChIKeyHNUBXJFPNZAVEH-UHFFFAOYSA-N
XLogP0.25
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.25
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

Antibiotic A 19009
CID 6439822
L-Ala-3-[[(E)-4-Amino-1,4-dioxo-2-butenyl]amino]-L-Ala-OH
CID 91799061
(2R)-2-[[(2S)-2-amino-3-[[(E)-4-amino-4-oxobut-2-enoyl]amino]propanoyl]amino]propanoic acid
CID 163016980
(E)-L-N-(3-(3-Carbamoylacrylamido)alanyl)alanine
CID 6434201
(2S)-2-amino-3-[prop-2-enyl-(2,2,2-trifluoroacetyl)amino]propanoic acid
CID 18651668
(2R)-2-[[(2R)-2-(prop-2-enoylamino)propanoyl]amino]propanoic acid
CID 91053745
2-[[1-Oxo-1-(prop-2-enylamino)propan-2-yl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258845
2-[[2-[Bis(prop-2-enyl)amino]-2-oxoethyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79790556
3,3,3-Trifluoro-2-methyl-2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanoic acid
CID 79791178
(2S)-2-amino-3-[prop-2-enyl-(2,2,2-trifluoroacetyl)amino]butanoic acid
CID 140980371
2-Acetamido-3-(propan-2-ylamino)propanoic acid
CID 326182
2-Acetamido-3-(butylamino)propanoic acid
CID 64582057

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-[bis(prop-2-enyl)amino]propanoic acid?
The IUPAC name of 2-acetamido-3-[bis(prop-2-enyl)amino]propanoic acid (CID 64582917) is 2-acetamido-3-[bis(prop-2-enyl)amino]propanoic acid.
What is the SMILES notation for 2-acetamido-3-[bis(prop-2-enyl)amino]propanoic acid?
The canonical SMILES for 2-acetamido-3-[bis(prop-2-enyl)amino]propanoic acid is C=CCN(CC=C)CC(NC(C)=O)C(=O)O.
What is the InChIKey of 2-acetamido-3-[bis(prop-2-enyl)amino]propanoic acid?
The InChIKey is HNUBXJFPNZAVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-4-6-13(7-5-2)8-10(11(15)16)12-9(3)14/h4-5,10H,1-2,6-8H2,3H3,(H,12,14)(H,15,16).
What are the key properties of 2-acetamido-3-[bis(prop-2-enyl)amino]propanoic acid?
2-acetamido-3-[bis(prop-2-enyl)amino]propanoic acid has a molecular weight of 226.28 g/mol, XLogP of 0.25, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-[bis(prop-2-enyl)amino]propanoic acid is sourced from PubChem (CID 64582917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).