ethyl 2-[2-(carbamoylamino)propanoyl-propylamino]acetate

C11H21N3O4 — CID 54898521

IUPACethyl 2-[2-(carbamoylamino)propanoyl-propylamino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)C(C)NC(N)=O
InChIInChI=1S/C11H21N3O4/c1-4-6-14(7-9(15)18-5-2)10(16)8(3)13-11(12)17/h8H,4-7H2,1-3H3,(H3,12,13,17)
InChIKeyJXCQFRHPETVBHQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP-0.16
Rot. Bonds7

About ethyl 2-[2-(carbamoylamino)propanoyl-propylamino]acetate

ethyl 2-[2-(carbamoylamino)propanoyl-propylamino]acetate (PubChem CID 54898521) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is ethyl 2-[2-(carbamoylamino)propanoyl-propylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(carbamoylamino)propanoyl-propylamino]acetate
PubChem CID54898521
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Nameethyl 2-[2-(carbamoylamino)propanoyl-propylamino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)C(C)NC(N)=O
InChIInChI=1S/C11H21N3O4/c1-4-6-14(7-9(15)18-5-2)10(16)8(3)13-11(12)17/h8H,4-7H2,1-3H3,(H3,12,13,17)
InChIKeyJXCQFRHPETVBHQ-UHFFFAOYSA-N
XLogP-0.16
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-ethoxy-2-oxoethyl)-propylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498133
ethyl 2-[2-acetamidopropanoyl(ethyl)amino]acetate
CID 54900981
2-(carbamoylamino)-N-ethyl-N-(2-hydroxyethyl)propanamide
CID 60958324
methyl N-[1-[ethyl(propyl)amino]-1-oxopropan-2-yl]carbamate
CID 123892539
ethyl 2-[[(2R)-2-(4-methoxyphenoxy)propanoyl]-propylamino]acetate
CID 97027871
ethyl 2-[[2-(carbamoylamino)-3-methylbutanoyl]-propan-2-ylamino]acetate
CID 61021307
ethyl 2-[ethyl(2-methylpropanoyl)amino]acetate
CID 61021514
ethyl 2-[prop-2-enyl-[2-(propylsulfonylamino)propanoyl]amino]acetate
CID 115538843
ethyl 2-[[(2S)-2-(carbamoylamino)propanoyl]amino]acetate
CID 101162412
2-[(2-amino-2-oxoethyl)-[2-(carbamoylamino)propanoyl]amino]acetic acid
CID 107434098
ethyl 2-[2-phenylbutanoyl(propyl)amino]acetate
CID 61008627
methyl 2-[[(2S)-2-amino-3-methylpentanoyl]-propylamino]acetate
CID 61173929

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(carbamoylamino)propanoyl-propylamino]acetate?
The IUPAC name of ethyl 2-[2-(carbamoylamino)propanoyl-propylamino]acetate (CID 54898521) is ethyl 2-[2-(carbamoylamino)propanoyl-propylamino]acetate.
What is the SMILES notation for ethyl 2-[2-(carbamoylamino)propanoyl-propylamino]acetate?
The canonical SMILES for ethyl 2-[2-(carbamoylamino)propanoyl-propylamino]acetate is CCCN(CC(=O)OCC)C(=O)C(C)NC(N)=O.
What is the InChIKey of ethyl 2-[2-(carbamoylamino)propanoyl-propylamino]acetate?
The InChIKey is JXCQFRHPETVBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-4-6-14(7-9(15)18-5-2)10(16)8(3)13-11(12)17/h8H,4-7H2,1-3H3,(H3,12,13,17).
What are the key properties of ethyl 2-[2-(carbamoylamino)propanoyl-propylamino]acetate?
ethyl 2-[2-(carbamoylamino)propanoyl-propylamino]acetate has a molecular weight of 259.31 g/mol, XLogP of -0.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(carbamoylamino)propanoyl-propylamino]acetate is sourced from PubChem (CID 54898521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).