cyclopropyl 2-(2-aminobutanoylamino)propanoate

C10H18N2O3 — CID 91262723

IUPACcyclopropyl 2-(2-aminobutanoylamino)propanoate
SMILESCCC(N)C(=O)NC(C)C(=O)OC1CC1
InChIInChI=1S/C10H18N2O3/c1-3-8(11)9(13)12-6(2)10(14)15-7-4-5-7/h6-8H,3-5,11H2,1-2H3,(H,12,13)
InChIKeyVYEYJPXMDKXPEF-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.07
Rot. Bonds5

About cyclopropyl 2-(2-aminobutanoylamino)propanoate

cyclopropyl 2-(2-aminobutanoylamino)propanoate (PubChem CID 91262723) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is cyclopropyl 2-(2-aminobutanoylamino)propanoate.

Molecular Properties

Compound Namecyclopropyl 2-(2-aminobutanoylamino)propanoate
PubChem CID91262723
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Namecyclopropyl 2-(2-aminobutanoylamino)propanoate
SMILESCCC(N)C(=O)NC(C)C(=O)OC1CC1
InChIInChI=1S/C10H18N2O3/c1-3-8(11)9(13)12-6(2)10(14)15-7-4-5-7/h6-8H,3-5,11H2,1-2H3,(H,12,13)
InChIKeyVYEYJPXMDKXPEF-UHFFFAOYSA-N
XLogP-0.07
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoylamino]propanoate
CID 91201222
cyclopentyl 2-aminobutanoate;hydrochloride
CID 175315314
2-amino-N-(1-amino-1-oxopropan-2-yl)butanamide
CID 43649626
cyclopentyl 2-aminobutanoate;molecular hydrogen
CID 143574438
2-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]butanamide
CID 43649658
cyclohexyl 2-(propan-2-ylamino)propanoate
CID 19362177
(4-methylcyclohexyl) (2S,3S)-2-amino-3-methylpentanoate
CID 61278231
(2S)-2-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]butanamide
CID 103109126
(4-methylcyclohexyl) (2S)-2-amino-3-methylpentanoate
CID 61278644
(2S)-2-amino-N-[1-(oxan-4-yl)ethyl]butanamide
CID 103797658
(2S)-2-amino-N-(3-ethylpentan-2-yl)butanamide
CID 79023204
(2R)-2-amino-N-[(2R)-1-aminopropan-2-yl]butanamide
CID 131206927

Frequently Asked Questions

What is the IUPAC name of cyclopropyl 2-(2-aminobutanoylamino)propanoate?
The IUPAC name of cyclopropyl 2-(2-aminobutanoylamino)propanoate (CID 91262723) is cyclopropyl 2-(2-aminobutanoylamino)propanoate.
What is the SMILES notation for cyclopropyl 2-(2-aminobutanoylamino)propanoate?
The canonical SMILES for cyclopropyl 2-(2-aminobutanoylamino)propanoate is CCC(N)C(=O)NC(C)C(=O)OC1CC1.
What is the InChIKey of cyclopropyl 2-(2-aminobutanoylamino)propanoate?
The InChIKey is VYEYJPXMDKXPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-3-8(11)9(13)12-6(2)10(14)15-7-4-5-7/h6-8H,3-5,11H2,1-2H3,(H,12,13).
What are the key properties of cyclopropyl 2-(2-aminobutanoylamino)propanoate?
cyclopropyl 2-(2-aminobutanoylamino)propanoate has a molecular weight of 214.26 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl 2-(2-aminobutanoylamino)propanoate is sourced from PubChem (CID 91262723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).