2-[[3-(cyclopropylamino)-3-oxopropyl]-methylamino]propanoic acid

C10H18N2O3 — CID 62637395

IUPAC2-[[3-(cyclopropylamino)-3-oxopropyl]-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)CCC(=O)NC1CC1
InChIInChI=1S/C10H18N2O3/c1-7(10(14)15)12(2)6-5-9(13)11-8-3-4-8/h7-8H,3-6H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyKPUYBDNXNVUZAF-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.06
Rot. Bonds6

About 2-[[3-(cyclopropylamino)-3-oxopropyl]-methylamino]propanoic acid

2-[[3-(cyclopropylamino)-3-oxopropyl]-methylamino]propanoic acid (PubChem CID 62637395) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-[[3-(cyclopropylamino)-3-oxopropyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[3-(cyclopropylamino)-3-oxopropyl]-methylamino]propanoic acid
PubChem CID62637395
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-[[3-(cyclopropylamino)-3-oxopropyl]-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)CCC(=O)NC1CC1
InChIInChI=1S/C10H18N2O3/c1-7(10(14)15)12(2)6-5-9(13)11-8-3-4-8/h7-8H,3-6H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyKPUYBDNXNVUZAF-UHFFFAOYSA-N
XLogP0.06
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-(cyclopropylamino)-3-oxopropyl]-methylamino]-2-methylpropanoic acid
CID 62628133
3-[4-aminobutan-2-yl(methyl)amino]-N-cyclopropylpropanamide
CID 63225816
N-cyclopropyl-3-[2-hydroxypropyl(methyl)amino]propanamide
CID 62627967
2-[[2-(cyclopentylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119913701
2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 62638909
3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-methylamino]propanoic acid
CID 60987133
3-[[3-(cyclopropylamino)-3-oxopropyl]-ethylamino]-2-methylpropanoic acid
CID 62852222
N-cyclopropyl-4-(dimethylamino)butanamide
CID 66617173
2-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid
CID 62637248
N,N'-dicyclopropylbutanediamide
CID 5225156
3-[(2-chloroacetyl)-methylamino]-N-cyclopropylpropanamide
CID 146075742
2-[[4-(cyclopropylamino)-4-oxobutanoyl]amino]-3-methylbutanoic acid
CID 82042242

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(cyclopropylamino)-3-oxopropyl]-methylamino]propanoic acid?
The IUPAC name of 2-[[3-(cyclopropylamino)-3-oxopropyl]-methylamino]propanoic acid (CID 62637395) is 2-[[3-(cyclopropylamino)-3-oxopropyl]-methylamino]propanoic acid.
What is the SMILES notation for 2-[[3-(cyclopropylamino)-3-oxopropyl]-methylamino]propanoic acid?
The canonical SMILES for 2-[[3-(cyclopropylamino)-3-oxopropyl]-methylamino]propanoic acid is CC(C(=O)O)N(C)CCC(=O)NC1CC1.
What is the InChIKey of 2-[[3-(cyclopropylamino)-3-oxopropyl]-methylamino]propanoic acid?
The InChIKey is KPUYBDNXNVUZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-7(10(14)15)12(2)6-5-9(13)11-8-3-4-8/h7-8H,3-6H2,1-2H3,(H,11,13)(H,14,15).
What are the key properties of 2-[[3-(cyclopropylamino)-3-oxopropyl]-methylamino]propanoic acid?
2-[[3-(cyclopropylamino)-3-oxopropyl]-methylamino]propanoic acid has a molecular weight of 214.26 g/mol, XLogP of 0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(cyclopropylamino)-3-oxopropyl]-methylamino]propanoic acid is sourced from PubChem (CID 62637395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).