2-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid

C12H21N3O5 — CID 106239325

IUPAC2-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
SMILESNC(=O)COCCNC(=O)NCC1CCCC1C(=O)O
InChIInChI=1S/C12H21N3O5/c13-10(16)7-20-5-4-14-12(19)15-6-8-2-1-3-9(8)11(17)18/h8-9H,1-7H2,(H2,13,16)(H,17,18)(H2,14,15,19)
InChIKeyIGFOJKPCJZMVFP-UHFFFAOYSA-N
MW287.32 g/mol
LogP-0.71
Rot. Bonds8

About 2-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid

2-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 106239325) has the molecular formula C12H21N3O5 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
PubChem CID106239325
Molecular FormulaC12H21N3O5
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name2-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
SMILESNC(=O)COCCNC(=O)NCC1CCCC1C(=O)O
InChIInChI=1S/C12H21N3O5/c13-10(16)7-20-5-4-14-12(19)15-6-8-2-1-3-9(8)11(17)18/h8-9H,1-7H2,(H2,13,16)(H,17,18)(H2,14,15,19)
InChIKeyIGFOJKPCJZMVFP-UHFFFAOYSA-N
XLogP-0.71
TPSA130.75 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 5-0.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 106239832
2-[[2-(carbamoylamino)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 83114129
2-[[2-(carbamoylamino)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 83112749
2-[(3-cyclopentylpropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 106005026
4-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 106240401
cis-(1S,2R)-2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 106234746
2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylcyclohexane-1-carboxamide
CID 106241354
2-[(hex-5-ynylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 106215949
1-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 106239344
2-[[(3-methylcyclopentyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 114548909
5-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]pentanoic acid
CID 114162551
trans-(1R,2S)-2-(formamidomethyl)cyclopentane-1-carboxylic acid
CID 130649468

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid (CID 106239325) is 2-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid is NC(=O)COCCNC(=O)NCC1CCCC1C(=O)O.
What is the InChIKey of 2-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is IGFOJKPCJZMVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O5/c13-10(16)7-20-5-4-14-12(19)15-6-8-2-1-3-9(8)11(17)18/h8-9H,1-7H2,(H2,13,16)(H,17,18)(H2,14,15,19).
What are the key properties of 2-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid?
2-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of -0.71, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106239325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).