2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]pentanoic acid

C9H18N2O3 — CID 83041307

IUPAC2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]pentanoic acid
SMILESCCCC(NC(C)(C)C(N)=O)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-4-5-6(7(12)13)11-9(2,3)8(10)14/h6,11H,4-5H2,1-3H3,(H2,10,14)(H,12,13)
InChIKeyAGCNSQGSHKJYOX-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.09
Rot. Bonds6

About 2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]pentanoic acid

2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]pentanoic acid (PubChem CID 83041307) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]pentanoic acid
PubChem CID83041307
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]pentanoic acid
SMILESCCCC(NC(C)(C)C(N)=O)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-4-5-6(7(12)13)11-9(2,3)8(10)14/h6,11H,4-5H2,1-3H3,(H2,10,14)(H,12,13)
InChIKeyAGCNSQGSHKJYOX-UHFFFAOYSA-N
XLogP0.09
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]pentanoic acid?
The IUPAC name of 2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]pentanoic acid (CID 83041307) is 2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]pentanoic acid.
What is the SMILES notation for 2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]pentanoic acid?
The canonical SMILES for 2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]pentanoic acid is CCCC(NC(C)(C)C(N)=O)C(=O)O.
What is the InChIKey of 2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]pentanoic acid?
The InChIKey is AGCNSQGSHKJYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-4-5-6(7(12)13)11-9(2,3)8(10)14/h6,11H,4-5H2,1-3H3,(H2,10,14)(H,12,13).
What are the key properties of 2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]pentanoic acid?
2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]pentanoic acid has a molecular weight of 202.25 g/mol, XLogP of 0.09, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]pentanoic acid is sourced from PubChem (CID 83041307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).