2-cyclopropyl-2-(2-propan-2-yloxyethylcarbamoylamino)acetic acid

C11H20N2O4 — CID 104763656

IUPAC2-cyclopropyl-2-(2-propan-2-yloxyethylcarbamoylamino)acetic acid
SMILESCC(C)OCCNC(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C11H20N2O4/c1-7(2)17-6-5-12-11(16)13-9(10(14)15)8-3-4-8/h7-9H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16)
InChIKeyOFNIYZMDPDKGIP-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.57
Rot. Bonds7

About 2-cyclopropyl-2-(2-propan-2-yloxyethylcarbamoylamino)acetic acid

2-cyclopropyl-2-(2-propan-2-yloxyethylcarbamoylamino)acetic acid (PubChem CID 104763656) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-cyclopropyl-2-(2-propan-2-yloxyethylcarbamoylamino)acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(2-propan-2-yloxyethylcarbamoylamino)acetic acid
PubChem CID104763656
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-cyclopropyl-2-(2-propan-2-yloxyethylcarbamoylamino)acetic acid
SMILESCC(C)OCCNC(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C11H20N2O4/c1-7(2)17-6-5-12-11(16)13-9(10(14)15)8-3-4-8/h7-9H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16)
InChIKeyOFNIYZMDPDKGIP-UHFFFAOYSA-N
XLogP0.57
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-2-(2-ethoxyethylcarbamoylamino)acetic acid
CID 62711213
(2S)-2-(2-propan-2-yloxyethylcarbamoylamino)propanoic acid
CID 104763805
2-cyclopropyl-2-(4-methylpentylcarbamoylamino)acetic acid
CID 63002690
2-cyclopropyl-2-[2-(dimethylamino)ethylcarbamoylamino]acetic acid
CID 62695644
2-cyclopropyl-2-[2-(diethylamino)ethylcarbamoylamino]acetic acid
CID 62710692
2-cyclohexyl-2-(propylcarbamoylamino)acetic acid
CID 61014378
2-cyclopropyl-2-[4-(dimethylamino)butylcarbamoylamino]acetic acid
CID 55107728
2-cyclopropyl-2-[2-(dimethylamino)propylcarbamoylamino]acetic acid
CID 62711231
2-cyclohexyl-2-(2-cyclopropylpropylcarbamoylamino)acetic acid
CID 103997560
2-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-2-cyclopropylacetic acid
CID 63316974
2-cyclohexyl-2-[3-(methylamino)propylcarbamoylamino]acetic acid
CID 61404684
4-(2-propan-2-yloxyethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 113450614

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(2-propan-2-yloxyethylcarbamoylamino)acetic acid?
The IUPAC name of 2-cyclopropyl-2-(2-propan-2-yloxyethylcarbamoylamino)acetic acid (CID 104763656) is 2-cyclopropyl-2-(2-propan-2-yloxyethylcarbamoylamino)acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-(2-propan-2-yloxyethylcarbamoylamino)acetic acid?
The canonical SMILES for 2-cyclopropyl-2-(2-propan-2-yloxyethylcarbamoylamino)acetic acid is CC(C)OCCNC(=O)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(2-propan-2-yloxyethylcarbamoylamino)acetic acid?
The InChIKey is OFNIYZMDPDKGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-7(2)17-6-5-12-11(16)13-9(10(14)15)8-3-4-8/h7-9H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16).
What are the key properties of 2-cyclopropyl-2-(2-propan-2-yloxyethylcarbamoylamino)acetic acid?
2-cyclopropyl-2-(2-propan-2-yloxyethylcarbamoylamino)acetic acid has a molecular weight of 244.29 g/mol, XLogP of 0.57, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(2-propan-2-yloxyethylcarbamoylamino)acetic acid is sourced from PubChem (CID 104763656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).