2-[[(3-amino-2-methoxypropanoyl)amino]methyl]pentanoic acid

C10H20N2O4 — CID 106113025

IUPAC2-[[(3-amino-2-methoxypropanoyl)amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)C(CN)OC)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-3-4-7(10(14)15)6-12-9(13)8(5-11)16-2/h7-8H,3-6,11H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyYTMPALONYLOAJX-UHFFFAOYSA-N
MW232.28 g/mol
LogP-0.42
Rot. Bonds8

About 2-[[(3-amino-2-methoxypropanoyl)amino]methyl]pentanoic acid

2-[[(3-amino-2-methoxypropanoyl)amino]methyl]pentanoic acid (PubChem CID 106113025) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-[[(3-amino-2-methoxypropanoyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[(3-amino-2-methoxypropanoyl)amino]methyl]pentanoic acid
PubChem CID106113025
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name2-[[(3-amino-2-methoxypropanoyl)amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)C(CN)OC)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-3-4-7(10(14)15)6-12-9(13)8(5-11)16-2/h7-8H,3-6,11H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyYTMPALONYLOAJX-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

2-[[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]methyl]pentanoic acid
CID 107472290
2-[(2-methylpropanoylamino)methyl]pentanoic acid
CID 65218926
3-amino-2-methoxy-N-(2-methylbutyl)propanamide
CID 106112770
2-[[(2-amino-5-methoxypentanoyl)amino]methyl]pentanoic acid
CID 81101109
3-[[(2R)-2-aminopentanoyl]amino]-2-methoxypropanoic acid
CID 106108985
2-[[(2-methoxyacetyl)amino]methyl]pentanoic acid
CID 65218680
2-[(2-aminoethylcarbamoylamino)methyl]pentanoic acid
CID 65223138
3-amino-2-methoxy-N-(1-methoxypentan-2-yl)propanamide
CID 106112962
2-[[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]methyl]pentanoic acid
CID 103309212
2-[(2-ethylhexanoylamino)methyl]pentanoic acid
CID 65218605
2-[(3-amino-2-methoxypropanoyl)amino]hexanoic acid
CID 106112321
2-[[3-(aminomethyl)pentanoylamino]methyl]pentanoic acid
CID 81080901

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-amino-2-methoxypropanoyl)amino]methyl]pentanoic acid?
The IUPAC name of 2-[[(3-amino-2-methoxypropanoyl)amino]methyl]pentanoic acid (CID 106113025) is 2-[[(3-amino-2-methoxypropanoyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[(3-amino-2-methoxypropanoyl)amino]methyl]pentanoic acid?
The canonical SMILES for 2-[[(3-amino-2-methoxypropanoyl)amino]methyl]pentanoic acid is CCCC(CNC(=O)C(CN)OC)C(=O)O.
What is the InChIKey of 2-[[(3-amino-2-methoxypropanoyl)amino]methyl]pentanoic acid?
The InChIKey is YTMPALONYLOAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-3-4-7(10(14)15)6-12-9(13)8(5-11)16-2/h7-8H,3-6,11H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-[[(3-amino-2-methoxypropanoyl)amino]methyl]pentanoic acid?
2-[[(3-amino-2-methoxypropanoyl)amino]methyl]pentanoic 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-[[(3-amino-2-methoxypropanoyl)amino]methyl]pentanoic acid is sourced from PubChem (CID 106113025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).