2-[[3-(methylamino)propanoylamino]methyl]butanoic acid

C9H18N2O3 — CID 65224493

IUPAC2-[[3-(methylamino)propanoylamino]methyl]butanoic acid
SMILESCCC(CNC(=O)CCNC)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-3-7(9(13)14)6-11-8(12)4-5-10-2/h7,10H,3-6H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyHMQZVMRTSGNFJG-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.18
Rot. Bonds7

About 2-[[3-(methylamino)propanoylamino]methyl]butanoic acid

2-[[3-(methylamino)propanoylamino]methyl]butanoic acid (PubChem CID 65224493) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-[[3-(methylamino)propanoylamino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[3-(methylamino)propanoylamino]methyl]butanoic acid
PubChem CID65224493
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name2-[[3-(methylamino)propanoylamino]methyl]butanoic acid
SMILESCCC(CNC(=O)CCNC)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-3-7(9(13)14)6-11-8(12)4-5-10-2/h7,10H,3-6H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyHMQZVMRTSGNFJG-UHFFFAOYSA-N
XLogP-0.18
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methylpentanoylamino)methyl]butanoic acid
CID 65218039
2-[[[3-(methylamino)-3-oxopropyl]carbamoylamino]methyl]butanoic acid
CID 65222904
2-[[(5-amino-4-methylpentanoyl)amino]methyl]butanoic acid
CID 82689234
(2S)-2-amino-4-[3-(methylamino)propanoylamino]butanoic acid
CID 87358924
2-[[(2-propan-2-ylsulfanylacetyl)amino]methyl]butanoic acid
CID 65218166
3-(methylamino)-N-[2-(methylamino)ethyl]propanamide
CID 59688102
2-[[(3-ethoxy-3-oxopropyl)carbamoylamino]methyl]butanoic acid
CID 65221683
2-[(heptanoylamino)methyl]pentanoic acid
CID 65218946
2-[[2-(dimethylsulfamoyl)ethylcarbamoylamino]methyl]butanoic acid
CID 106341409
2-[[[(2R)-2-aminopropanoyl]amino]methyl]butanoic acid
CID 65224335
2-[[2-(dimethylcarbamoylamino)ethylcarbamoylamino]methyl]butanoic acid
CID 83114358
2-[[[2-(prop-2-ynylamino)acetyl]amino]methyl]butanoic acid
CID 79270508

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(methylamino)propanoylamino]methyl]butanoic acid?
The IUPAC name of 2-[[3-(methylamino)propanoylamino]methyl]butanoic acid (CID 65224493) is 2-[[3-(methylamino)propanoylamino]methyl]butanoic acid.
What is the SMILES notation for 2-[[3-(methylamino)propanoylamino]methyl]butanoic acid?
The canonical SMILES for 2-[[3-(methylamino)propanoylamino]methyl]butanoic acid is CCC(CNC(=O)CCNC)C(=O)O.
What is the InChIKey of 2-[[3-(methylamino)propanoylamino]methyl]butanoic acid?
The InChIKey is HMQZVMRTSGNFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-3-7(9(13)14)6-11-8(12)4-5-10-2/h7,10H,3-6H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 2-[[3-(methylamino)propanoylamino]methyl]butanoic acid?
2-[[3-(methylamino)propanoylamino]methyl]butanoic acid has a molecular weight of 202.25 g/mol, XLogP of -0.18, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(methylamino)propanoylamino]methyl]butanoic acid is sourced from PubChem (CID 65224493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).