2-[cyclopropyl-[2-(dimethylcarbamoylamino)ethylcarbamoyl]amino]acetic acid

C11H20N4O4 — CID 83113212

IUPAC2-[cyclopropyl-[2-(dimethylcarbamoylamino)ethylcarbamoyl]amino]acetic acid
SMILESCN(C)C(=O)NCCNC(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C11H20N4O4/c1-14(2)10(18)12-5-6-13-11(19)15(7-9(16)17)8-3-4-8/h8H,3-7H2,1-2H3,(H,12,18)(H,13,19)(H,16,17)
InChIKeyJVPNFEFHMVMUPO-UHFFFAOYSA-N
MW272.30 g/mol
LogP-0.48
Rot. Bonds6

About 2-[cyclopropyl-[2-(dimethylcarbamoylamino)ethylcarbamoyl]amino]acetic acid

2-[cyclopropyl-[2-(dimethylcarbamoylamino)ethylcarbamoyl]amino]acetic acid (PubChem CID 83113212) has the molecular formula C11H20N4O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-(dimethylcarbamoylamino)ethylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-(dimethylcarbamoylamino)ethylcarbamoyl]amino]acetic acid
PubChem CID83113212
Molecular FormulaC11H20N4O4
Molecular Weight272.30 g/mol
Exact Mass272.15
IUPAC Name2-[cyclopropyl-[2-(dimethylcarbamoylamino)ethylcarbamoyl]amino]acetic acid
SMILESCN(C)C(=O)NCCNC(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C11H20N4O4/c1-14(2)10(18)12-5-6-13-11(19)15(7-9(16)17)8-3-4-8/h8H,3-7H2,1-2H3,(H,12,18)(H,13,19)(H,16,17)
InChIKeyJVPNFEFHMVMUPO-UHFFFAOYSA-N
XLogP-0.48
TPSA101.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-0.48
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(propylcarbamoyl)amino]acetic acid
CID 60828450
2-[cyclopropyl-[3-(dimethylamino)propylcarbamoyl]amino]acetic acid
CID 54978981
2-[cyclopropyl(3,3-dimethylbutylcarbamoyl)amino]acetic acid
CID 103995838
2-[cyclopropyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid
CID 54978578
2-[cyclopropyl(2-sulfamoylethylcarbamoyl)amino]acetic acid
CID 54978624
2-[cyclopentyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid
CID 61201868
2-[cyclopropyl(3-propoxypropylcarbamoyl)amino]acetic acid
CID 82944448
2-[cyclopropyl-[(2-methoxy-2-oxoethyl)carbamoyl]amino]acetic acid
CID 61181974
2-[cyclopropyl(2-cyclopropylpropylcarbamoyl)amino]acetic acid
CID 103997573
2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl-cyclopropylamino]acetic acid
CID 106239260
2-[cyclopropyl-[2-(4-methoxyphenyl)ethylcarbamoyl]amino]acetic acid
CID 61182104
2-[cyclopentyl-[3-(methanesulfonamido)propylcarbamoyl]amino]acetic acid
CID 106340334

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-(dimethylcarbamoylamino)ethylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[2-(dimethylcarbamoylamino)ethylcarbamoyl]amino]acetic acid (CID 83113212) is 2-[cyclopropyl-[2-(dimethylcarbamoylamino)ethylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-(dimethylcarbamoylamino)ethylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[2-(dimethylcarbamoylamino)ethylcarbamoyl]amino]acetic acid is CN(C)C(=O)NCCNC(=O)N(CC(=O)O)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[2-(dimethylcarbamoylamino)ethylcarbamoyl]amino]acetic acid?
The InChIKey is JVPNFEFHMVMUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O4/c1-14(2)10(18)12-5-6-13-11(19)15(7-9(16)17)8-3-4-8/h8H,3-7H2,1-2H3,(H,12,18)(H,13,19)(H,16,17).
What are the key properties of 2-[cyclopropyl-[2-(dimethylcarbamoylamino)ethylcarbamoyl]amino]acetic acid?
2-[cyclopropyl-[2-(dimethylcarbamoylamino)ethylcarbamoyl]amino]acetic acid has a molecular weight of 272.30 g/mol, XLogP of -0.48, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-(dimethylcarbamoylamino)ethylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 83113212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).