3-[[1-(cyclopropylamino)-1-oxopropan-2-yl]carbamoylamino]-2-methoxypropanoic acid

C11H19N3O5 — CID 114144760

IUPAC3-[[1-(cyclopropylamino)-1-oxopropan-2-yl]carbamoylamino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)NC(C)C(=O)NC1CC1)C(=O)O
InChIInChI=1S/C11H19N3O5/c1-6(9(15)14-7-3-4-7)13-11(18)12-5-8(19-2)10(16)17/h6-8H,3-5H2,1-2H3,(H,14,15)(H,16,17)(H2,12,13,18)
InChIKeySDVHZDOQOIKLFM-UHFFFAOYSA-N
MW273.29 g/mol
LogP-0.95
Rot. Bonds7

About 3-[[1-(cyclopropylamino)-1-oxopropan-2-yl]carbamoylamino]-2-methoxypropanoic acid

3-[[1-(cyclopropylamino)-1-oxopropan-2-yl]carbamoylamino]-2-methoxypropanoic acid (PubChem CID 114144760) has the molecular formula C11H19N3O5 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3-[[1-(cyclopropylamino)-1-oxopropan-2-yl]carbamoylamino]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[[1-(cyclopropylamino)-1-oxopropan-2-yl]carbamoylamino]-2-methoxypropanoic acid
PubChem CID114144760
Molecular FormulaC11H19N3O5
Molecular Weight273.29 g/mol
Exact Mass273.13
IUPAC Name3-[[1-(cyclopropylamino)-1-oxopropan-2-yl]carbamoylamino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)NC(C)C(=O)NC1CC1)C(=O)O
InChIInChI=1S/C11H19N3O5/c1-6(9(15)14-7-3-4-7)13-11(18)12-5-8(19-2)10(16)17/h6-8H,3-5H2,1-2H3,(H,14,15)(H,16,17)(H2,12,13,18)
InChIKeySDVHZDOQOIKLFM-UHFFFAOYSA-N
XLogP-0.95
TPSA116.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 5-0.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopentylcarbamoylamino)-2-methoxypropanoic acid
CID 106108236
3-[[4-(hydroxymethyl)cyclohexyl]carbamoylamino]-2-methoxypropanoic acid
CID 112753142
3-(2-cyclopropylpropanoylamino)-2-methoxypropanoic acid
CID 106107430
N-cyclopropyl-2-(cyclopropylcarbamoylamino)propanamide
CID 116657682
3-(cyclopent-3-en-1-ylcarbamoylamino)-2-methoxypropanoic acid
CID 106110502
2-methoxy-3-[(3-methoxycyclobutyl)carbamoylamino]propanoic acid
CID 106110707
2-methoxy-3-(thiolan-3-ylcarbamoylamino)propanoic acid
CID 106110602
3-(but-3-en-2-ylcarbamoylamino)-2-methoxypropanoic acid
CID 106110511
2-methoxy-3-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]propanoic acid
CID 106110258
N-cyclopentyl-2-(cyclopropylcarbamoylamino)propanamide
CID 47076626
3-[[(2R)-2-aminopropanoyl]amino]-2-methoxypropanoic acid
CID 106109032
2-(cyclopropylcarbamoylamino)-N-ethylpropanamide
CID 115575153

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(cyclopropylamino)-1-oxopropan-2-yl]carbamoylamino]-2-methoxypropanoic acid?
The IUPAC name of 3-[[1-(cyclopropylamino)-1-oxopropan-2-yl]carbamoylamino]-2-methoxypropanoic acid (CID 114144760) is 3-[[1-(cyclopropylamino)-1-oxopropan-2-yl]carbamoylamino]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[[1-(cyclopropylamino)-1-oxopropan-2-yl]carbamoylamino]-2-methoxypropanoic acid?
The canonical SMILES for 3-[[1-(cyclopropylamino)-1-oxopropan-2-yl]carbamoylamino]-2-methoxypropanoic acid is COC(CNC(=O)NC(C)C(=O)NC1CC1)C(=O)O.
What is the InChIKey of 3-[[1-(cyclopropylamino)-1-oxopropan-2-yl]carbamoylamino]-2-methoxypropanoic acid?
The InChIKey is SDVHZDOQOIKLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O5/c1-6(9(15)14-7-3-4-7)13-11(18)12-5-8(19-2)10(16)17/h6-8H,3-5H2,1-2H3,(H,14,15)(H,16,17)(H2,12,13,18).
What are the key properties of 3-[[1-(cyclopropylamino)-1-oxopropan-2-yl]carbamoylamino]-2-methoxypropanoic acid?
3-[[1-(cyclopropylamino)-1-oxopropan-2-yl]carbamoylamino]-2-methoxypropanoic acid has a molecular weight of 273.29 g/mol, XLogP of -0.95, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(cyclopropylamino)-1-oxopropan-2-yl]carbamoylamino]-2-methoxypropanoic acid is sourced from PubChem (CID 114144760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).