2-[2-(methylamino)pentanoylamino]acetic acid

C8H16N2O3 — CID 154969168

IUPAC2-[2-(methylamino)pentanoylamino]acetic acid
SMILESCCCC(NC)C(=O)NCC(=O)O
InChIInChI=1S/C8H16N2O3/c1-3-4-6(9-2)8(13)10-5-7(11)12/h6,9H,3-5H2,1-2H3,(H,10,13)(H,11,12)
InChIKeyJRANPWSTLMNNSV-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.42
Rot. Bonds6

About 2-[2-(methylamino)pentanoylamino]acetic acid

2-[2-(methylamino)pentanoylamino]acetic acid (PubChem CID 154969168) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-[2-(methylamino)pentanoylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(methylamino)pentanoylamino]acetic acid
PubChem CID154969168
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name2-[2-(methylamino)pentanoylamino]acetic acid
SMILESCCCC(NC)C(=O)NCC(=O)O
InChIInChI=1S/C8H16N2O3/c1-3-4-6(9-2)8(13)10-5-7(11)12/h6,9H,3-5H2,1-2H3,(H,10,13)(H,11,12)
InChIKeyJRANPWSTLMNNSV-UHFFFAOYSA-N
XLogP-0.42
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-methyl-2-(methylamino)pentanamide
CID 143782023
(2R)-2-(methylamino)pentanoic acid
CID 15677248
3-[2-((113C)methylamino)(5,6-13C2)hexanoylamino]propanoic acid
CID 135251442
(2S)-2-(methylamino)pentanoic acid;molecular hydrogen;propane
CID 169240700
(4R)-4-(methylamino)-5-oxo-5-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]pentanoic acid
CID 168928235
2-[2-(2-methylhexan-3-ylsulfanyl)propanoylamino]acetic acid
CID 91361696
2-methyl-N-prop-2-ynylpentanamide
CID 60707067
2-methyl-N-(3-methyl-2-oxobutyl)pentanamide
CID 64996979
2-[[2-[[(2S)-2-(methylamino)-3-phenylpropanoyl]amino]acetyl]amino]acetic acid
CID 70669722
(2S)-2-amino-3-[[1-(carboxymethylamino)-1-oxobutan-2-yl]amino]-3-oxopropanoic acid
CID 134318711
2-[[(2S)-2-(chloroamino)-3-hydroxypropanoyl]amino]acetic acid
CID 131851142
2-[[(2S)-2,4-dimethylpentanoyl]amino]acetic acid
CID 134236014

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)pentanoylamino]acetic acid?
The IUPAC name of 2-[2-(methylamino)pentanoylamino]acetic acid (CID 154969168) is 2-[2-(methylamino)pentanoylamino]acetic acid.
What is the SMILES notation for 2-[2-(methylamino)pentanoylamino]acetic acid?
The canonical SMILES for 2-[2-(methylamino)pentanoylamino]acetic acid is CCCC(NC)C(=O)NCC(=O)O.
What is the InChIKey of 2-[2-(methylamino)pentanoylamino]acetic acid?
The InChIKey is JRANPWSTLMNNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-3-4-6(9-2)8(13)10-5-7(11)12/h6,9H,3-5H2,1-2H3,(H,10,13)(H,11,12).
What are the key properties of 2-[2-(methylamino)pentanoylamino]acetic acid?
2-[2-(methylamino)pentanoylamino]acetic acid has a molecular weight of 188.23 g/mol, XLogP of -0.42, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)pentanoylamino]acetic acid is sourced from PubChem (CID 154969168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).