2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylamino]propanoic acid

C10H17N3O4 — CID 62638909

IUPAC2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)CC(=O)NC(=O)NC1CC1
InChIInChI=1S/C10H17N3O4/c1-6(9(15)16)13(2)5-8(14)12-10(17)11-7-3-4-7/h6-7H,3-5H2,1-2H3,(H,15,16)(H2,11,12,14,17)
InChIKeyQXICOLWMJYJYRZ-UHFFFAOYSA-N
MW243.26 g/mol
LogP-0.62
Rot. Bonds5

About 2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylamino]propanoic acid

2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylamino]propanoic acid (PubChem CID 62638909) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylamino]propanoic acid
PubChem CID62638909
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)CC(=O)NC(=O)NC1CC1
InChIInChI=1S/C10H17N3O4/c1-6(9(15)16)13(2)5-8(14)12-10(17)11-7-3-4-7/h6-7H,3-5H2,1-2H3,(H,15,16)(H2,11,12,14,17)
InChIKeyQXICOLWMJYJYRZ-UHFFFAOYSA-N
XLogP-0.62
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(cyclopentylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119913701
(2R)-N-(cyclohexylcarbamoyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide
CID 9053534
2-[[3-(cyclopropylamino)-3-oxopropyl]-methylamino]propanoic acid
CID 62637395
N-(cyclopropylcarbamoyl)-2-[2-methylpropyl(propan-2-yl)amino]acetamide
CID 36962774
2-[cyclopentyl(methyl)amino]-N-(cyclopropylcarbamoyl)acetamide
CID 47126757
2-[cyclohexyl(methyl)amino]-N-(cyclopropylcarbamoyl)acetamide
CID 40706155
(2S)-2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]propanoic acid
CID 83194919
2-[(3-amino-4-methylpentyl)-methylamino]-N-(cyclopropylcarbamoyl)acetamide
CID 81490662
2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanoic acid
CID 43216485
N-cyclopropyl-2-[(1-hydrazinyl-1-oxopropan-2-yl)-methylamino]acetamide
CID 63584391
2-[methyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoic acid
CID 62637591
N-(cyclopropylcarbamoyl)-2-[methyl-(4-methylcyclohexyl)amino]acetamide
CID 47113229

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylamino]propanoic acid?
The IUPAC name of 2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylamino]propanoic acid (CID 62638909) is 2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylamino]propanoic acid.
What is the SMILES notation for 2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylamino]propanoic acid?
The canonical SMILES for 2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylamino]propanoic acid is CC(C(=O)O)N(C)CC(=O)NC(=O)NC1CC1.
What is the InChIKey of 2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylamino]propanoic acid?
The InChIKey is QXICOLWMJYJYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-6(9(15)16)13(2)5-8(14)12-10(17)11-7-3-4-7/h6-7H,3-5H2,1-2H3,(H,15,16)(H2,11,12,14,17).
What are the key properties of 2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylamino]propanoic acid?
2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylamino]propanoic acid has a molecular weight of 243.26 g/mol, XLogP of -0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylamino]propanoic acid is sourced from PubChem (CID 62638909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).