2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-2-methylpentanoic acid

C14H24N2O3 — CID 43619722

IUPAC2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-2-methylpentanoic acid
SMILESC=CCN(CC=C)C(=O)CNC(C)(CCC)C(=O)O
InChIInChI=1S/C14H24N2O3/c1-5-8-14(4,13(18)19)15-11-12(17)16(9-6-2)10-7-3/h6-7,15H,2-3,5,8-11H2,1,4H3,(H,18,19)
InChIKeyHCFGPRLPVYSOSF-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.42
Rot. Bonds10

About 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-2-methylpentanoic acid

2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-2-methylpentanoic acid (PubChem CID 43619722) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-2-methylpentanoic acid
PubChem CID43619722
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-2-methylpentanoic acid
SMILESC=CCN(CC=C)C(=O)CNC(C)(CCC)C(=O)O
InChIInChI=1S/C14H24N2O3/c1-5-8-14(4,13(18)19)15-11-12(17)16(9-6-2)10-7-3/h6-7,15H,2-3,5,8-11H2,1,4H3,(H,18,19)
InChIKeyHCFGPRLPVYSOSF-UHFFFAOYSA-N
XLogP1.42
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.42
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

N-methacryloyl-glycylleucine
CID 53992817
(2S)-2-[(2-amino-2-methylpropanoyl)amino]-4-methylpentanoic acid
CID 56634195
(2S)-2-(but-2-enoylamino)-4-methylpentanoic acid
CID 61156217
2-(But-2-enoylamino)-4-methylpentanoic acid
CID 74313887
2-[[2-(Tert-butylamino)acetyl]amino]-4-methylpentanoic acid
CID 79257118
(2R)-2-[[2-(tert-butylamino)acetyl]amino]-4-methylpentanoic acid
CID 79257542
2-[[2-(Dimethylamino)acetyl]amino]-4-methylpentanoic acid
CID 81682882
(2S)-2-[[2-(dimethylamino)acetyl]amino]-4-methylpentanoic acid
CID 81683611
2-[(2-Amino-4-methylpentanoyl)amino]pent-4-enoic acid
CID 81770191
2-(Dimethylamino)-3-(2-methylprop-2-enoylamino)pentanoic acid
CID 87269994
2-(Dimethylamino)-3-(prop-2-enoylamino)pentanoic acid
CID 87270007
(2S)-4-methyl-2-[[(2S)-2-[methyl(propan-2-yl)amino]propanoyl]amino]pentanoic acid
CID 87486900

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-2-methylpentanoic acid?
The IUPAC name of 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-2-methylpentanoic acid (CID 43619722) is 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-2-methylpentanoic acid is C=CCN(CC=C)C(=O)CNC(C)(CCC)C(=O)O.
What is the InChIKey of 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-2-methylpentanoic acid?
The InChIKey is HCFGPRLPVYSOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-5-8-14(4,13(18)19)15-11-12(17)16(9-6-2)10-7-3/h6-7,15H,2-3,5,8-11H2,1,4H3,(H,18,19).
What are the key properties of 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-2-methylpentanoic acid?
2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-2-methylpentanoic acid has a molecular weight of 268.36 g/mol, XLogP of 1.42, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-2-methylpentanoic acid is sourced from PubChem (CID 43619722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).