2-[[1-(carbamoylamino)-1-oxopropan-2-yl]-(2-methoxyethyl)amino]acetic acid

C9H17N3O5 — CID 54968906

IUPAC2-[[1-(carbamoylamino)-1-oxopropan-2-yl]-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(C)C(=O)NC(N)=O
InChIInChI=1S/C9H17N3O5/c1-6(8(15)11-9(10)16)12(3-4-17-2)5-7(13)14/h6H,3-5H2,1-2H3,(H,13,14)(H3,10,11,15,16)
InChIKeyHBLZSCQLXMVOHX-UHFFFAOYSA-N
MW247.25 g/mol
LogP-1.40
Rot. Bonds7

About 2-[[1-(carbamoylamino)-1-oxopropan-2-yl]-(2-methoxyethyl)amino]acetic acid

2-[[1-(carbamoylamino)-1-oxopropan-2-yl]-(2-methoxyethyl)amino]acetic acid (PubChem CID 54968906) has the molecular formula C9H17N3O5 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-[[1-(carbamoylamino)-1-oxopropan-2-yl]-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[1-(carbamoylamino)-1-oxopropan-2-yl]-(2-methoxyethyl)amino]acetic acid
PubChem CID54968906
Molecular FormulaC9H17N3O5
Molecular Weight247.25 g/mol
Exact Mass247.12
IUPAC Name2-[[1-(carbamoylamino)-1-oxopropan-2-yl]-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(C)C(=O)NC(N)=O
InChIInChI=1S/C9H17N3O5/c1-6(8(15)11-9(10)16)12(3-4-17-2)5-7(13)14/h6H,3-5H2,1-2H3,(H,13,14)(H3,10,11,15,16)
InChIKeyHBLZSCQLXMVOHX-UHFFFAOYSA-N
XLogP-1.40
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-amino-2-oxoethyl)-[1-(carbamoylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 107440766
2-[[1-(carbamoylamino)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetic acid
CID 63065381
2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]-(2-methoxyethyl)amino]acetic acid
CID 54968957
2-[4-methoxybutan-2-yl(2-methoxyethyl)amino]acetic acid
CID 65067403
2-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-propylamino]acetic acid
CID 54899159
2-[(1-amino-1-oxopropan-2-yl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272265
2-[carboxymethyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 63646159
2-[(1-amino-1-oxopropan-2-yl)-propylamino]acetic acid
CID 61008085
2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-carbamoylpropanamide
CID 107494446
2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]acetamide
CID 61072169
2-[2-methoxyethyl(2-methylpropyl)amino]propanamide
CID 62901426
N-carbamoyl-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanamide
CID 107485792

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(carbamoylamino)-1-oxopropan-2-yl]-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[[1-(carbamoylamino)-1-oxopropan-2-yl]-(2-methoxyethyl)amino]acetic acid (CID 54968906) is 2-[[1-(carbamoylamino)-1-oxopropan-2-yl]-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[[1-(carbamoylamino)-1-oxopropan-2-yl]-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[[1-(carbamoylamino)-1-oxopropan-2-yl]-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(C)C(=O)NC(N)=O.
What is the InChIKey of 2-[[1-(carbamoylamino)-1-oxopropan-2-yl]-(2-methoxyethyl)amino]acetic acid?
The InChIKey is HBLZSCQLXMVOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O5/c1-6(8(15)11-9(10)16)12(3-4-17-2)5-7(13)14/h6H,3-5H2,1-2H3,(H,13,14)(H3,10,11,15,16).
What are the key properties of 2-[[1-(carbamoylamino)-1-oxopropan-2-yl]-(2-methoxyethyl)amino]acetic acid?
2-[[1-(carbamoylamino)-1-oxopropan-2-yl]-(2-methoxyethyl)amino]acetic acid has a molecular weight of 247.25 g/mol, XLogP of -1.40, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(carbamoylamino)-1-oxopropan-2-yl]-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 54968906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).