3-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]propanoic acid

C9H17N3O4 — CID 43466733

IUPAC3-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]propanoic acid
SMILESCCNC(=O)NC(=O)C(C)NCCC(=O)O
InChIInChI=1S/C9H17N3O4/c1-3-10-9(16)12-8(15)6(2)11-5-4-7(13)14/h6,11H,3-5H2,1-2H3,(H,13,14)(H2,10,12,15,16)
InChIKeyMPYPRTAKELLRRZ-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.72
Rot. Bonds6

About 3-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]propanoic acid

3-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]propanoic acid (PubChem CID 43466733) has the molecular formula C9H17N3O4 and a molecular weight of 231.25 g/mol. Its IUPAC name is 3-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]propanoic acid
PubChem CID43466733
Molecular FormulaC9H17N3O4
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Name3-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]propanoic acid
SMILESCCNC(=O)NC(=O)C(C)NCCC(=O)O
InChIInChI=1S/C9H17N3O4/c1-3-10-9(16)12-8(15)6(2)11-5-4-7(13)14/h6,11H,3-5H2,1-2H3,(H,13,14)(H2,10,12,15,16)
InChIKeyMPYPRTAKELLRRZ-UHFFFAOYSA-N
XLogP-0.72
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(ethylcarbamoyl)-2-[(1-methylcyclopropyl)methylamino]propanamide
CID 103724729
N-(ethylcarbamoyl)-2-[(3-hydroxy-2-methylpropyl)amino]propanamide
CID 65036025
N-(ethylcarbamoyl)-2-(2-phenylsulfanylethylamino)propanamide
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3-[[1-oxo-1-(prop-2-ynylamino)propan-2-yl]amino]propanoic acid
CID 43466719
2-(2,3-dihydroxypropylamino)-N-(ethylcarbamoyl)propanamide
CID 66171216
N-(ethylcarbamoyl)-2-[(1-propylcyclopropyl)methylamino]propanamide
CID 113256759
N-(ethylcarbamoyl)-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]propanamide
CID 55127056
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CID 43317222

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]propanoic acid?
The IUPAC name of 3-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]propanoic acid (CID 43466733) is 3-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]propanoic acid.
What is the SMILES notation for 3-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]propanoic acid?
The canonical SMILES for 3-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]propanoic acid is CCNC(=O)NC(=O)C(C)NCCC(=O)O.
What is the InChIKey of 3-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]propanoic acid?
The InChIKey is MPYPRTAKELLRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O4/c1-3-10-9(16)12-8(15)6(2)11-5-4-7(13)14/h6,11H,3-5H2,1-2H3,(H,13,14)(H2,10,12,15,16).
What are the key properties of 3-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]propanoic acid?
3-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]propanoic acid has a molecular weight of 231.25 g/mol, XLogP of -0.72, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]propanoic acid is sourced from PubChem (CID 43466733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).