3-[[1-(cyclopropylamino)-1-oxopropan-2-yl]-ethylamino]-2-methylpropanoic acid

C12H22N2O3 — CID 62853862

IUPAC3-[[1-(cyclopropylamino)-1-oxopropan-2-yl]-ethylamino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(C)C(=O)NC1CC1
InChIInChI=1S/C12H22N2O3/c1-4-14(7-8(2)12(16)17)9(3)11(15)13-10-5-6-10/h8-10H,4-7H2,1-3H3,(H,13,15)(H,16,17)
InChIKeyLFOOBNLUASOKIF-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.70
Rot. Bonds7

About 3-[[1-(cyclopropylamino)-1-oxopropan-2-yl]-ethylamino]-2-methylpropanoic acid

3-[[1-(cyclopropylamino)-1-oxopropan-2-yl]-ethylamino]-2-methylpropanoic acid (PubChem CID 62853862) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-[[1-(cyclopropylamino)-1-oxopropan-2-yl]-ethylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[1-(cyclopropylamino)-1-oxopropan-2-yl]-ethylamino]-2-methylpropanoic acid
PubChem CID62853862
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name3-[[1-(cyclopropylamino)-1-oxopropan-2-yl]-ethylamino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(C)C(=O)NC1CC1
InChIInChI=1S/C12H22N2O3/c1-4-14(7-8(2)12(16)17)9(3)11(15)13-10-5-6-10/h8-10H,4-7H2,1-3H3,(H,13,15)(H,16,17)
InChIKeyLFOOBNLUASOKIF-UHFFFAOYSA-N
XLogP0.70
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]-2-methylpropanoic acid
CID 62851344
3-[(1-amino-1-oxopropan-2-yl)-ethylamino]-2-methylpropanoic acid
CID 62853683
3-[ethyl-[1-oxo-1-(pentylamino)propan-2-yl]amino]-2-methylpropanoic acid
CID 62853681
3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-methylamino]-2-methylpropanoic acid
CID 55007305
3-[[3-(cyclopropylamino)-3-oxopropyl]-ethylamino]-2-methylpropanoic acid
CID 62852222
2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-cyclopropylpropanamide
CID 79661499
3-[[1-(diethylamino)-1-oxopropan-2-yl]-ethylamino]-2-methylpropanoic acid
CID 62851345
N-cyclopropyl-2-[2-hydroxyethyl(propyl)amino]propanamide
CID 60691805
2-[carboxymethyl-[1-(cyclopentylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 55244223
3-[[3-(cyclopropylamino)-3-oxopropyl]-methylamino]-2-methylpropanoic acid
CID 62628133
3-[(4-ethylcyclohexyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 55007231
(2S)-N-cyclopropyl-2-(dimethylamino)propanamide
CID 127013720

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(cyclopropylamino)-1-oxopropan-2-yl]-ethylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[[1-(cyclopropylamino)-1-oxopropan-2-yl]-ethylamino]-2-methylpropanoic acid (CID 62853862) is 3-[[1-(cyclopropylamino)-1-oxopropan-2-yl]-ethylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[1-(cyclopropylamino)-1-oxopropan-2-yl]-ethylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[1-(cyclopropylamino)-1-oxopropan-2-yl]-ethylamino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)C(C)C(=O)NC1CC1.
What is the InChIKey of 3-[[1-(cyclopropylamino)-1-oxopropan-2-yl]-ethylamino]-2-methylpropanoic acid?
The InChIKey is LFOOBNLUASOKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-4-14(7-8(2)12(16)17)9(3)11(15)13-10-5-6-10/h8-10H,4-7H2,1-3H3,(H,13,15)(H,16,17).
What are the key properties of 3-[[1-(cyclopropylamino)-1-oxopropan-2-yl]-ethylamino]-2-methylpropanoic acid?
3-[[1-(cyclopropylamino)-1-oxopropan-2-yl]-ethylamino]-2-methylpropanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(cyclopropylamino)-1-oxopropan-2-yl]-ethylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62853862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).