3-[ethyl(propylcarbamoyl)amino]propanoic acid

C9H18N2O3 — CID 61007804

IUPAC3-[ethyl(propylcarbamoyl)amino]propanoic acid
SMILESCCCNC(=O)N(CC)CCC(=O)O
InChIInChI=1S/C9H18N2O3/c1-3-6-10-9(14)11(4-2)7-5-8(12)13/h3-7H2,1-2H3,(H,10,14)(H,12,13)
InChIKeyAGJIFHAZBVLISY-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.90
Rot. Bonds6

About 3-[ethyl(propylcarbamoyl)amino]propanoic acid

3-[ethyl(propylcarbamoyl)amino]propanoic acid (PubChem CID 61007804) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 3-[ethyl(propylcarbamoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl(propylcarbamoyl)amino]propanoic acid
PubChem CID61007804
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name3-[ethyl(propylcarbamoyl)amino]propanoic acid
SMILESCCCNC(=O)N(CC)CCC(=O)O
InChIInChI=1S/C9H18N2O3/c1-3-6-10-9(14)11(4-2)7-5-8(12)13/h3-7H2,1-2H3,(H,10,14)(H,12,13)
InChIKeyAGJIFHAZBVLISY-UHFFFAOYSA-N
XLogP0.90
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(5-amino-5-oxopentyl)carbamoyl-ethylamino]propanoic acid
CID 106238668
4-(diethylcarbamoylamino)butanoic acid
CID 28511499
3-[ethyl-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]amino]propanoic acid
CID 106038851
7-[[ethyl(2-hydroxyethyl)carbamoyl]amino]heptanoic acid
CID 61207638
3-[ethyl-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]amino]propanoic acid
CID 62851164
2-[[ethyl(propyl)carbamoyl]amino]acetic acid
CID 43445697
6-(dipropylcarbamoylamino)hexanoic acid
CID 61181306
1-ethyl-3-propyl-1-prop-2-ynylurea
CID 78970040
1-ethyl-1-(2-ethylbutyl)-3-propylurea
CID 115583094
3-[ethyl-[(4-ethylphenyl)methylcarbamoyl]amino]propanoic acid
CID 106900417
3-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]propanoic acid
CID 79386088
3-[ethyl-[(2-ethylphenyl)methylcarbamoyl]amino]propanoic acid
CID 64694336

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(propylcarbamoyl)amino]propanoic acid?
The IUPAC name of 3-[ethyl(propylcarbamoyl)amino]propanoic acid (CID 61007804) is 3-[ethyl(propylcarbamoyl)amino]propanoic acid.
What is the SMILES notation for 3-[ethyl(propylcarbamoyl)amino]propanoic acid?
The canonical SMILES for 3-[ethyl(propylcarbamoyl)amino]propanoic acid is CCCNC(=O)N(CC)CCC(=O)O.
What is the InChIKey of 3-[ethyl(propylcarbamoyl)amino]propanoic acid?
The InChIKey is AGJIFHAZBVLISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-3-6-10-9(14)11(4-2)7-5-8(12)13/h3-7H2,1-2H3,(H,10,14)(H,12,13).
What are the key properties of 3-[ethyl(propylcarbamoyl)amino]propanoic acid?
3-[ethyl(propylcarbamoyl)amino]propanoic acid has a molecular weight of 202.25 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(propylcarbamoyl)amino]propanoic acid is sourced from PubChem (CID 61007804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).