2-[2-(aminomethyl)pentanoylamino]-3-methoxypropanoic acid

C10H20N2O4 — CID 81077823

IUPAC2-[2-(aminomethyl)pentanoylamino]-3-methoxypropanoic acid
SMILESCCCC(CN)C(=O)NC(COC)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-3-4-7(5-11)9(13)12-8(6-16-2)10(14)15/h7-8H,3-6,11H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyYMHKFJINYYXAOI-UHFFFAOYSA-N
MW232.28 g/mol
LogP-0.42
Rot. Bonds8

About 2-[2-(aminomethyl)pentanoylamino]-3-methoxypropanoic acid

2-[2-(aminomethyl)pentanoylamino]-3-methoxypropanoic acid (PubChem CID 81077823) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-[2-(aminomethyl)pentanoylamino]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[2-(aminomethyl)pentanoylamino]-3-methoxypropanoic acid
PubChem CID81077823
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name2-[2-(aminomethyl)pentanoylamino]-3-methoxypropanoic acid
SMILESCCCC(CN)C(=O)NC(COC)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-3-4-7(5-11)9(13)12-8(6-16-2)10(14)15/h7-8H,3-6,11H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyYMHKFJINYYXAOI-UHFFFAOYSA-N
XLogP-0.42
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[2-(aminomethyl)pentanoylamino]-3-hydroxypropanoic acid
CID 80750422
2-(2-ethylhexanoylamino)-3-methoxypropanoic acid
CID 81076563
(2S)-2-[2-(aminomethyl)pentanoylamino]-4-phenylbutanoic acid
CID 104983409
2-[2-(aminomethyl)pentanoylamino]-3,3-dimethylbutanoic acid
CID 65229352
2-[2-(aminomethyl)butanoylamino]hexanoic acid
CID 65229403
2-(2-propylpentanoylamino)butanedioic acid
CID 82985290
methyl 2-(aminomethyl)pentanoate
CID 65220226
(2S)-4-hydroxy-2-(2-propylpentanoylamino)butanoic acid
CID 107822514
4-[2-(aminomethyl)pentanoylamino]-2-methylbutanoic acid
CID 80539749
4-methoxy-2-(2-methylpentanoylamino)butanoic acid
CID 62478938
3-methoxy-2-[[methyl(pentan-2-yl)carbamoyl]amino]propanoic acid
CID 81083904
2-(2-ethylbutanoylamino)pentanoic acid
CID 43630315

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)pentanoylamino]-3-methoxypropanoic acid?
The IUPAC name of 2-[2-(aminomethyl)pentanoylamino]-3-methoxypropanoic acid (CID 81077823) is 2-[2-(aminomethyl)pentanoylamino]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[2-(aminomethyl)pentanoylamino]-3-methoxypropanoic acid?
The canonical SMILES for 2-[2-(aminomethyl)pentanoylamino]-3-methoxypropanoic acid is CCCC(CN)C(=O)NC(COC)C(=O)O.
What is the InChIKey of 2-[2-(aminomethyl)pentanoylamino]-3-methoxypropanoic acid?
The InChIKey is YMHKFJINYYXAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-3-4-7(5-11)9(13)12-8(6-16-2)10(14)15/h7-8H,3-6,11H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-[2-(aminomethyl)pentanoylamino]-3-methoxypropanoic acid?
2-[2-(aminomethyl)pentanoylamino]-3-methoxypropanoic acid has a molecular weight of 232.28 g/mol, XLogP of -0.42, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)pentanoylamino]-3-methoxypropanoic acid is sourced from PubChem (CID 81077823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).