methyl 3-[2-(aminomethyl)butanoylamino]propanoate

C9H18N2O3 — CID 65228741

IUPACmethyl 3-[2-(aminomethyl)butanoylamino]propanoate
SMILESCCC(CN)C(=O)NCCC(=O)OC
InChIInChI=1S/C9H18N2O3/c1-3-7(6-10)9(13)11-5-4-8(12)14-2/h7H,3-6,10H2,1-2H3,(H,11,13)
InChIKeyZSVHHTNVPLCYCX-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.35
Rot. Bonds6

About methyl 3-[2-(aminomethyl)butanoylamino]propanoate

methyl 3-[2-(aminomethyl)butanoylamino]propanoate (PubChem CID 65228741) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is methyl 3-[2-(aminomethyl)butanoylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-(aminomethyl)butanoylamino]propanoate
PubChem CID65228741
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Namemethyl 3-[2-(aminomethyl)butanoylamino]propanoate
SMILESCCC(CN)C(=O)NCCC(=O)OC
InChIInChI=1S/C9H18N2O3/c1-3-7(6-10)9(13)11-5-4-8(12)14-2/h7H,3-6,10H2,1-2H3,(H,11,13)
InChIKeyZSVHHTNVPLCYCX-UHFFFAOYSA-N
XLogP-0.35
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[2-(aminomethyl)butanoylamino]butanoate
CID 65228483
methyl 3-(2-aminobutanoylamino)propanoate
CID 61252896
2-(aminomethyl)-N-[3-(diethylamino)-3-oxopropyl]butanamide
CID 65229755
2-(aminomethyl)-N-(3-aminopropyl)butanamide
CID 65229428
methyl 3-[[2-(aminomethyl)-3-methylbutanoyl]amino]propanoate
CID 65228791
2-(aminomethyl)-N-(2-propan-2-yloxyethyl)butanamide
CID 104759858
2-(aminomethyl)-N-(6-hydroxyhexyl)butanamide
CID 107842589
methyl 3-[(2-aminoacetyl)amino]propanoate
CID 60672581
2-(aminomethyl)-N-(2-methylbutyl)butanamide
CID 62691581
methyl 3-[(4-amino-3-methylbutanoyl)amino]propanoate
CID 81087612
2-(aminomethyl)-N-(7-methyloctyl)butanamide
CID 65229476
5-[2-(aminomethyl)butanoylamino]-2-methylpentanoic acid
CID 104685698

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(aminomethyl)butanoylamino]propanoate?
The IUPAC name of methyl 3-[2-(aminomethyl)butanoylamino]propanoate (CID 65228741) is methyl 3-[2-(aminomethyl)butanoylamino]propanoate.
What is the SMILES notation for methyl 3-[2-(aminomethyl)butanoylamino]propanoate?
The canonical SMILES for methyl 3-[2-(aminomethyl)butanoylamino]propanoate is CCC(CN)C(=O)NCCC(=O)OC.
What is the InChIKey of methyl 3-[2-(aminomethyl)butanoylamino]propanoate?
The InChIKey is ZSVHHTNVPLCYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-3-7(6-10)9(13)11-5-4-8(12)14-2/h7H,3-6,10H2,1-2H3,(H,11,13).
What are the key properties of methyl 3-[2-(aminomethyl)butanoylamino]propanoate?
methyl 3-[2-(aminomethyl)butanoylamino]propanoate has a molecular weight of 202.25 g/mol, XLogP of -0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(aminomethyl)butanoylamino]propanoate is sourced from PubChem (CID 65228741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).