2-[(2-methylpropanoylamino)methyl]pentanoic acid

C10H19NO3 — CID 65218926

IUPAC2-[(2-methylpropanoylamino)methyl]pentanoic acid
SMILESCCCC(CNC(=O)C(C)C)C(=O)O
InChIInChI=1S/C10H19NO3/c1-4-5-8(10(13)14)6-11-9(12)7(2)3/h7-8H,4-6H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyJEGAQGBXLUPNGC-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.26
Rot. Bonds6

About 2-[(2-methylpropanoylamino)methyl]pentanoic acid

2-[(2-methylpropanoylamino)methyl]pentanoic acid (PubChem CID 65218926) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[(2-methylpropanoylamino)methyl]pentanoic acid.

Molecular Properties

Compound Name2-[(2-methylpropanoylamino)methyl]pentanoic acid
PubChem CID65218926
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-[(2-methylpropanoylamino)methyl]pentanoic acid
SMILESCCCC(CNC(=O)C(C)C)C(=O)O
InChIInChI=1S/C10H19NO3/c1-4-5-8(10(13)14)6-11-9(12)7(2)3/h7-8H,4-6H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyJEGAQGBXLUPNGC-UHFFFAOYSA-N
XLogP1.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methylsulfonylpropanoylamino)methyl]pentanoic acid
CID 104517676
2-[(2-ethylhexanoylamino)methyl]pentanoic acid
CID 65218605
2-[[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]methyl]pentanoic acid
CID 103309212
2-[(methylcarbamoylamino)methyl]pentanoic acid
CID 65217625
2-[[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]methyl]pentanoic acid
CID 65223693
2-[[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]methyl]pentanoic acid
CID 107472290
2-[[(3-amino-2-methoxypropanoyl)amino]methyl]pentanoic acid
CID 106113025
2-[[[(2R)-2-aminopropanoyl]amino]methyl]butanoic acid
CID 65224335
2-[[[4-(2-aminoethyl)-5-methylhexanoyl]amino]methyl]pentanoic acid
CID 65224044
2-[(2-aminoethylcarbamoylamino)methyl]pentanoic acid
CID 65223138
2-[[(2-methoxyacetyl)amino]methyl]pentanoic acid
CID 65218680
2-[(4-methylpentan-2-ylcarbamoylamino)methyl]pentanoic acid
CID 65223798

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropanoylamino)methyl]pentanoic acid?
The IUPAC name of 2-[(2-methylpropanoylamino)methyl]pentanoic acid (CID 65218926) is 2-[(2-methylpropanoylamino)methyl]pentanoic acid.
What is the SMILES notation for 2-[(2-methylpropanoylamino)methyl]pentanoic acid?
The canonical SMILES for 2-[(2-methylpropanoylamino)methyl]pentanoic acid is CCCC(CNC(=O)C(C)C)C(=O)O.
What is the InChIKey of 2-[(2-methylpropanoylamino)methyl]pentanoic acid?
The InChIKey is JEGAQGBXLUPNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-4-5-8(10(13)14)6-11-9(12)7(2)3/h7-8H,4-6H2,1-3H3,(H,11,12)(H,13,14).
What are the key properties of 2-[(2-methylpropanoylamino)methyl]pentanoic acid?
2-[(2-methylpropanoylamino)methyl]pentanoic acid has a molecular weight of 201.27 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropanoylamino)methyl]pentanoic acid is sourced from PubChem (CID 65218926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).