2-cyclopropyl-2-[2-(dimethylamino)ethylcarbamoylamino]acetic acid

C10H19N3O3 — CID 62695644

IUPAC2-cyclopropyl-2-[2-(dimethylamino)ethylcarbamoylamino]acetic acid
SMILESCN(C)CCNC(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C10H19N3O3/c1-13(2)6-5-11-10(16)12-8(9(14)15)7-3-4-7/h7-8H,3-6H2,1-2H3,(H,14,15)(H2,11,12,16)
InChIKeySZLCLBFQNSSWRL-UHFFFAOYSA-N
MW229.28 g/mol
LogP-0.29
Rot. Bonds6

About 2-cyclopropyl-2-[2-(dimethylamino)ethylcarbamoylamino]acetic acid

2-cyclopropyl-2-[2-(dimethylamino)ethylcarbamoylamino]acetic acid (PubChem CID 62695644) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-cyclopropyl-2-[2-(dimethylamino)ethylcarbamoylamino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[2-(dimethylamino)ethylcarbamoylamino]acetic acid
PubChem CID62695644
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name2-cyclopropyl-2-[2-(dimethylamino)ethylcarbamoylamino]acetic acid
SMILESCN(C)CCNC(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C10H19N3O3/c1-13(2)6-5-11-10(16)12-8(9(14)15)7-3-4-7/h7-8H,3-6H2,1-2H3,(H,14,15)(H2,11,12,16)
InChIKeySZLCLBFQNSSWRL-UHFFFAOYSA-N
XLogP-0.29
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-[4-(dimethylamino)butylcarbamoylamino]acetic acid
CID 55107728
2-cyclopropyl-2-[2-(diethylamino)ethylcarbamoylamino]acetic acid
CID 62710692
2-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-2-cyclopropylacetic acid
CID 63316974
2-cyclopropyl-2-[2-(dimethylamino)propylcarbamoylamino]acetic acid
CID 62711231
2-cyclopropyl-2-(2-propan-2-yloxyethylcarbamoylamino)acetic acid
CID 104763656
2-cyclopropyl-2-(4-methylpentylcarbamoylamino)acetic acid
CID 63002690
2-cyclopropyl-2-(2-ethoxyethylcarbamoylamino)acetic acid
CID 62711213
2-cyclohexyl-2-(propylcarbamoylamino)acetic acid
CID 61014378
2-cyclopropyl-2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]acetic acid
CID 83114452
(2S)-2-cyclohexyl-2-[2-(dimethylamino)ethylamino]acetic acid
CID 67022413
2-cyclohexyl-2-[3-(methylamino)propylcarbamoylamino]acetic acid
CID 61404684
2-cyclopropyl-2-[(1-ethylcyclopentyl)methylcarbamoylamino]acetic acid
CID 114126135

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[2-(dimethylamino)ethylcarbamoylamino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[2-(dimethylamino)ethylcarbamoylamino]acetic acid (CID 62695644) is 2-cyclopropyl-2-[2-(dimethylamino)ethylcarbamoylamino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[2-(dimethylamino)ethylcarbamoylamino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[2-(dimethylamino)ethylcarbamoylamino]acetic acid is CN(C)CCNC(=O)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[2-(dimethylamino)ethylcarbamoylamino]acetic acid?
The InChIKey is SZLCLBFQNSSWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-13(2)6-5-11-10(16)12-8(9(14)15)7-3-4-7/h7-8H,3-6H2,1-2H3,(H,14,15)(H2,11,12,16).
What are the key properties of 2-cyclopropyl-2-[2-(dimethylamino)ethylcarbamoylamino]acetic acid?
2-cyclopropyl-2-[2-(dimethylamino)ethylcarbamoylamino]acetic acid has a molecular weight of 229.28 g/mol, XLogP of -0.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[2-(dimethylamino)ethylcarbamoylamino]acetic acid is sourced from PubChem (CID 62695644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).