2-[[(E)-non-5-enoyl]amino]acetic acid

C11H19NO3 — CID 131802989

IUPAC2-[[(E)-non-5-enoyl]amino]acetic acid
SMILESCCC/C=C/CCCC(=O)NCC(=O)O
InChIInChI=1S/C11H19NO3/c1-2-3-4-5-6-7-8-10(13)12-9-11(14)15/h4-5H,2-3,6-9H2,1H3,(H,12,13)(H,14,15)/b5-4+
InChIKeyVMRXSTXSNQJSGP-SNAWJCMRSA-N
MW213.28 g/mol
LogP1.71
Rot. Bonds8

About 2-[[(E)-non-5-enoyl]amino]acetic acid

2-[[(E)-non-5-enoyl]amino]acetic acid (PubChem CID 131802989) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[[(E)-non-5-enoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(E)-non-5-enoyl]amino]acetic acid
PubChem CID131802989
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-[[(E)-non-5-enoyl]amino]acetic acid
SMILESCCC/C=C/CCCC(=O)NCC(=O)O
InChIInChI=1S/C11H19NO3/c1-2-3-4-5-6-7-8-10(13)12-9-11(14)15/h4-5H,2-3,6-9H2,1H3,(H,12,13)(H,14,15)/b5-4+
InChIKeyVMRXSTXSNQJSGP-SNAWJCMRSA-N
XLogP1.71
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[(Z)-octadec-9-enoyl]amino]acetic acid
CID 6436908
2-[[(Z)-octadec-11-enoyl]amino]acetic acid
CID 135240006
2-[[(9E,12E)-octadeca-9,12-dienoyl]amino]acetic acid
CID 5353808
2-[3-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]propanoylamino]acetic acid
CID 144753909
2-[[2-(pentanoylamino)acetyl]amino]acetic acid
CID 43387772
N,N'-bis[(E)-undec-7-enyl]hexanediamide
CID 101279980
(E)-tetracos-20-enoic acid
CID 171117693
(E)-undec-7-enoic acid
CID 5312729
2-[9-[(Z)-hexadec-9-enoyl]oxynonadecanoylamino]acetic acid
CID 164500425
2-[[(5Z,8Z,11Z,14E)-5,6,8,9,11,12,14,15-octadeuterioicosa-5,8,11,14-tetraenoyl]amino]acetic acid
CID 171042666
(5Z,13Z,16Z)-icosa-5,13,16-trienoic acid
CID 52921834
sodium;2-(hexadecanoylamino)acetic acid;hydride
CID 173207705

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-non-5-enoyl]amino]acetic acid?
The IUPAC name of 2-[[(E)-non-5-enoyl]amino]acetic acid (CID 131802989) is 2-[[(E)-non-5-enoyl]amino]acetic acid.
What is the SMILES notation for 2-[[(E)-non-5-enoyl]amino]acetic acid?
The canonical SMILES for 2-[[(E)-non-5-enoyl]amino]acetic acid is CCC/C=C/CCCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[(E)-non-5-enoyl]amino]acetic acid?
The InChIKey is VMRXSTXSNQJSGP-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H19NO3/c1-2-3-4-5-6-7-8-10(13)12-9-11(14)15/h4-5H,2-3,6-9H2,1H3,(H,12,13)(H,14,15)/b5-4+.
What are the key properties of 2-[[(E)-non-5-enoyl]amino]acetic acid?
2-[[(E)-non-5-enoyl]amino]acetic acid has a molecular weight of 213.28 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-non-5-enoyl]amino]acetic acid is sourced from PubChem (CID 131802989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).