1-[[2-(prop-2-enoylamino)acetyl]amino]cyclopentane-1-carboxylic acid

C11H16N2O4 — CID 166766188

IUPAC1-[[2-(prop-2-enoylamino)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESC=CC(=O)NCC(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C11H16N2O4/c1-2-8(14)12-7-9(15)13-11(10(16)17)5-3-4-6-11/h2H,1,3-7H2,(H,12,14)(H,13,15)(H,16,17)
InChIKeyAJKGUJBSVHOEBQ-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.20
Rot. Bonds5

About 1-[[2-(prop-2-enoylamino)acetyl]amino]cyclopentane-1-carboxylic acid

1-[[2-(prop-2-enoylamino)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 166766188) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-[[2-(prop-2-enoylamino)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(prop-2-enoylamino)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID166766188
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name1-[[2-(prop-2-enoylamino)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESC=CC(=O)NCC(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C11H16N2O4/c1-2-8(14)12-7-9(15)13-11(10(16)17)5-3-4-6-11/h2H,1,3-7H2,(H,12,14)(H,13,15)(H,16,17)
InChIKeyAJKGUJBSVHOEBQ-UHFFFAOYSA-N
XLogP-0.20
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Cyclopentanecarboxylic acid, 1-[2-(2-aminoacetamido)acetamido]-, hydrate
CID 254987
Acryloyllysine
CID 53855319
Cyclopentanecarboxylicacid, 1-[[2-(methylamino)acetyl]amino]-
CID 315365
1-(Acryloylamino)cyclopentane-1-carboxylic acid
CID 13795972
6-[2-(Prop-2-enoylamino)hexanoylamino]hexanoic acid
CID 17935577
(2R)-6-amino-2-(prop-2-enoylamino)hexanoic acid
CID 18634838
6-Amino-2-(prop-2-enoylamino)hexanoic acid
CID 22717437
2-[Bis(carboxymethyl)amino]-6-(prop-2-enoylamino)hexanoic acid
CID 23584671
1-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]cyclopentane-1-carboxylic acid
CID 56623967
2,6-Bis(prop-2-enoylamino)hexanoic acid
CID 58792649
1-[2-(2-Aminopropanoylamino)propanoylamino]cyclopentane-1-carboxylic acid
CID 67827752
2-[2-(2,5-Dioxopyrrol-1-yl)propanoylamino]hexanoic acid
CID 68673808

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(prop-2-enoylamino)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[2-(prop-2-enoylamino)acetyl]amino]cyclopentane-1-carboxylic acid (CID 166766188) is 1-[[2-(prop-2-enoylamino)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(prop-2-enoylamino)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(prop-2-enoylamino)acetyl]amino]cyclopentane-1-carboxylic acid is C=CC(=O)NCC(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[2-(prop-2-enoylamino)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is AJKGUJBSVHOEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-2-8(14)12-7-9(15)13-11(10(16)17)5-3-4-6-11/h2H,1,3-7H2,(H,12,14)(H,13,15)(H,16,17).
What are the key properties of 1-[[2-(prop-2-enoylamino)acetyl]amino]cyclopentane-1-carboxylic acid?
1-[[2-(prop-2-enoylamino)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 240.26 g/mol, XLogP of -0.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(prop-2-enoylamino)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 166766188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).