2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]-2-methylpentanoic acid

C12H22N2O3 — CID 43619805

IUPAC2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(C)C(=O)NC1CC1)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-4-7-12(3,11(16)17)14-8(2)10(15)13-9-5-6-9/h8-9,14H,4-7H2,1-3H3,(H,13,15)(H,16,17)
InChIKeyQZDFJTPYXFFLGD-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.89
Rot. Bonds7

About 2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]-2-methylpentanoic acid

2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]-2-methylpentanoic acid (PubChem CID 43619805) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]-2-methylpentanoic acid
PubChem CID43619805
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(C)C(=O)NC1CC1)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-4-7-12(3,11(16)17)14-8(2)10(15)13-9-5-6-9/h8-9,14H,4-7H2,1-3H3,(H,13,15)(H,16,17)
InChIKeyQZDFJTPYXFFLGD-UHFFFAOYSA-N
XLogP0.89
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]-2-methylpentanoic acid?
The IUPAC name of 2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]-2-methylpentanoic acid (CID 43619805) is 2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]-2-methylpentanoic acid is CCCC(C)(NC(C)C(=O)NC1CC1)C(=O)O.
What is the InChIKey of 2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]-2-methylpentanoic acid?
The InChIKey is QZDFJTPYXFFLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-4-7-12(3,11(16)17)14-8(2)10(15)13-9-5-6-9/h8-9,14H,4-7H2,1-3H3,(H,13,15)(H,16,17).
What are the key properties of 2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]-2-methylpentanoic acid?
2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]-2-methylpentanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.89, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]-2-methylpentanoic acid is sourced from PubChem (CID 43619805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).