2-[2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-2-oxoethoxy]acetic acid

C10H15N3O6 — CID 61329467

IUPAC2-[2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)NC(=O)NCC(=O)NC1CC1
InChIInChI=1S/C10H15N3O6/c14-7(12-6-1-2-6)3-11-10(18)13-8(15)4-19-5-9(16)17/h6H,1-5H2,(H,12,14)(H,16,17)(H2,11,13,15,18)
InChIKeyPNFLXVMUKJRJEO-UHFFFAOYSA-N
MW273.25 g/mol
LogP-1.81
Rot. Bonds7

About 2-[2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-2-oxoethoxy]acetic acid

2-[2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-2-oxoethoxy]acetic acid (PubChem CID 61329467) has the molecular formula C10H15N3O6 and a molecular weight of 273.25 g/mol. Its IUPAC name is 2-[2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-2-oxoethoxy]acetic acid
PubChem CID61329467
Molecular FormulaC10H15N3O6
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name2-[2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)NC(=O)NCC(=O)NC1CC1
InChIInChI=1S/C10H15N3O6/c14-7(12-6-1-2-6)3-11-10(18)13-8(15)4-19-5-9(16)17/h6H,1-5H2,(H,12,14)(H,16,17)(H2,11,13,15,18)
InChIKeyPNFLXVMUKJRJEO-UHFFFAOYSA-N
XLogP-1.81
TPSA133.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 5-1.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(4-ethylcyclohexyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 61468508
2-[2-[(4-ethylcyclohexyl)amino]-2-oxoethoxy]acetic acid
CID 60706988
2-[2-(2-cyclopentyloxyethylcarbamoylamino)-2-oxoethoxy]acetic acid
CID 63828865
2-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethoxy]acetic acid
CID 61328994
3-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-3-methylbutanoic acid
CID 64701436
2-[1-[[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]methyl]cyclobutyl]acetic acid
CID 81162871
N-cyclohexyl-2-(cyclopentylcarbamoylamino)acetamide
CID 84516190
2-[2-[(2,3-dimethylcyclohexyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 61328684
N-cyclopropyl-2-(propylcarbamoylamino)acetamide
CID 84514772
N-[2-(cyclopropylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 60668703
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]acetic acid
CID 43466149
2-[2-[(3-hydroxycyclohexyl)amino]-2-oxoethoxy]acetic acid
CID 61329813

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-2-oxoethoxy]acetic acid (CID 61329467) is 2-[2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-2-oxoethoxy]acetic acid is O=C(O)COCC(=O)NC(=O)NCC(=O)NC1CC1.
What is the InChIKey of 2-[2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-2-oxoethoxy]acetic acid?
The InChIKey is PNFLXVMUKJRJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O6/c14-7(12-6-1-2-6)3-11-10(18)13-8(15)4-19-5-9(16)17/h6H,1-5H2,(H,12,14)(H,16,17)(H2,11,13,15,18).
What are the key properties of 2-[2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-2-oxoethoxy]acetic acid?
2-[2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-2-oxoethoxy]acetic acid has a molecular weight of 273.25 g/mol, XLogP of -1.81, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61329467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).