2-aminopentanedioic acid;prop-2-enamide

C8H14N2O5 — CID 175248365

IUPAC2-aminopentanedioic acid;prop-2-enamide
SMILESC=CC(N)=O.NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C5H9NO4.C3H5NO/c6-3(5(9)10)1-2-4(7)8;1-2-3(4)5/h3H,1-2,6H2,(H,7,8)(H,9,10);2H,1H2,(H2,4,5)
InChIKeyDJOXWYOVHMWVQT-UHFFFAOYSA-N
MW218.21 g/mol
LogP-1.08
Rot. Bonds5

About 2-aminopentanedioic acid;prop-2-enamide

2-aminopentanedioic acid;prop-2-enamide (PubChem CID 175248365) has the molecular formula C8H14N2O5 and a molecular weight of 218.21 g/mol. Its IUPAC name is 2-aminopentanedioic acid;prop-2-enamide.

Molecular Properties

Compound Name2-aminopentanedioic acid;prop-2-enamide
PubChem CID175248365
Molecular FormulaC8H14N2O5
Molecular Weight218.21 g/mol
Exact Mass218.09
IUPAC Name2-aminopentanedioic acid;prop-2-enamide
SMILESC=CC(N)=O.NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C5H9NO4.C3H5NO/c6-3(5(9)10)1-2-4(7)8;1-2-3(4)5/h3H,1-2,6H2,(H,7,8)(H,9,10);2H,1H2,(H2,4,5)
InChIKeyDJOXWYOVHMWVQT-UHFFFAOYSA-N
XLogP-1.08
TPSA143.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 5-1.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 22842573
2-(Prop-2-enoylamino)pentanedioic acid
CID 10265239
2-Aminopentanedioic acid;prop-1-ene
CID 20080191
2-(Prop-2-enoyloxyamino)pentanedioic acid
CID 59992734
(2S)-2-aminopentanedioic acid;cyclopropene
CID 67575397
2-Aminopentanedioic acid;penta-1,4-dien-3-one
CID 87566422
(2S)-2-aminopentanedioic acid;penta-1,4-dien-3-one
CID 87566423
(2S)-2-(2-prop-2-enoylhydrazinyl)pentanedioic acid
CID 87857303
2-(2-Prop-2-enoylhydrazinyl)pentanedioic acid
CID 87857304
(2S)-2-aminopentanedioic acid;prop-1-ene
CID 88421073
(2R)-2-(prop-2-enoylamino)pentanedioic acid
CID 88453701
lithium;(2S)-2-aminopentanedioic acid;prop-2-en-1-one
CID 158882100

Frequently Asked Questions

What is the IUPAC name of 2-aminopentanedioic acid;prop-2-enamide?
The IUPAC name of 2-aminopentanedioic acid;prop-2-enamide (CID 175248365) is 2-aminopentanedioic acid;prop-2-enamide.
What is the SMILES notation for 2-aminopentanedioic acid;prop-2-enamide?
The canonical SMILES for 2-aminopentanedioic acid;prop-2-enamide is C=CC(N)=O.NC(CCC(=O)O)C(=O)O.
What is the InChIKey of 2-aminopentanedioic acid;prop-2-enamide?
The InChIKey is DJOXWYOVHMWVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4.C3H5NO/c6-3(5(9)10)1-2-4(7)8;1-2-3(4)5/h3H,1-2,6H2,(H,7,8)(H,9,10);2H,1H2,(H2,4,5).
What are the key properties of 2-aminopentanedioic acid;prop-2-enamide?
2-aminopentanedioic acid;prop-2-enamide has a molecular weight of 218.21 g/mol, XLogP of -1.08, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopentanedioic acid;prop-2-enamide is sourced from PubChem (CID 175248365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).