2-cyclopropyl-2-(2-ethoxyethylcarbamoylamino)acetic acid

C10H18N2O4 — CID 62711213

IUPAC2-cyclopropyl-2-(2-ethoxyethylcarbamoylamino)acetic acid
SMILESCCOCCNC(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C10H18N2O4/c1-2-16-6-5-11-10(15)12-8(9(13)14)7-3-4-7/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)
InChIKeyWUOMZYNNFUGWQG-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.19
Rot. Bonds7

About 2-cyclopropyl-2-(2-ethoxyethylcarbamoylamino)acetic acid

2-cyclopropyl-2-(2-ethoxyethylcarbamoylamino)acetic acid (PubChem CID 62711213) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-cyclopropyl-2-(2-ethoxyethylcarbamoylamino)acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(2-ethoxyethylcarbamoylamino)acetic acid
PubChem CID62711213
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-cyclopropyl-2-(2-ethoxyethylcarbamoylamino)acetic acid
SMILESCCOCCNC(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C10H18N2O4/c1-2-16-6-5-11-10(15)12-8(9(13)14)7-3-4-7/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)
InChIKeyWUOMZYNNFUGWQG-UHFFFAOYSA-N
XLogP0.19
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.19
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-propan-2-yloxyethylcarbamoylamino)acetic acid
CID 104763656
2-cyclopropyl-2-[2-(diethylamino)ethylcarbamoylamino]acetic acid
CID 62710692
2-cyclopropyl-2-[2-(dimethylamino)ethylcarbamoylamino]acetic acid
CID 62695644
2-cyclohexyl-2-(propylcarbamoylamino)acetic acid
CID 61014378
2-cyclopropyl-2-(4-methylpentylcarbamoylamino)acetic acid
CID 63002690
2-cyclopropyl-2-[4-(dimethylamino)butylcarbamoylamino]acetic acid
CID 55107728
2-cyclopropyl-2-[2-(dimethylamino)propylcarbamoylamino]acetic acid
CID 62711231
2-cyclopropyl-2-(ethoxyamino)acetic acid
CID 103254508
2-(2-ethoxyethylcarbamoylamino)-4-methoxybutanoic acid
CID 62478307
2-[2-(1-cyclopropylethylcarbamoylamino)ethoxy]acetic acid
CID 79463822
(2S)-4-amino-2-(2-ethoxyethylcarbamoylamino)-4-oxobutanoic acid
CID 63716980
2-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-2-cyclopropylacetic acid
CID 63316974

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(2-ethoxyethylcarbamoylamino)acetic acid?
The IUPAC name of 2-cyclopropyl-2-(2-ethoxyethylcarbamoylamino)acetic acid (CID 62711213) is 2-cyclopropyl-2-(2-ethoxyethylcarbamoylamino)acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-(2-ethoxyethylcarbamoylamino)acetic acid?
The canonical SMILES for 2-cyclopropyl-2-(2-ethoxyethylcarbamoylamino)acetic acid is CCOCCNC(=O)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(2-ethoxyethylcarbamoylamino)acetic acid?
The InChIKey is WUOMZYNNFUGWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-2-16-6-5-11-10(15)12-8(9(13)14)7-3-4-7/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15).
What are the key properties of 2-cyclopropyl-2-(2-ethoxyethylcarbamoylamino)acetic acid?
2-cyclopropyl-2-(2-ethoxyethylcarbamoylamino)acetic acid has a molecular weight of 230.26 g/mol, XLogP of 0.19, 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-ethoxyethylcarbamoylamino)acetic acid is sourced from PubChem (CID 62711213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).