2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl-ethylamino]-2-methylpropanoic acid

C13H25N3O3 — CID 62978545

IUPAC2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl-ethylamino]-2-methylpropanoic acid
SMILESCCN(C(=O)NCCN(C)C1CC1)C(C)(C)C(=O)O
InChIInChI=1S/C13H25N3O3/c1-5-16(13(2,3)11(17)18)12(19)14-8-9-15(4)10-6-7-10/h10H,5-9H2,1-4H3,(H,14,19)(H,17,18)
InChIKeyCLHLCKXOQVDBPY-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.98
Rot. Bonds7

About 2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl-ethylamino]-2-methylpropanoic acid

2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl-ethylamino]-2-methylpropanoic acid (PubChem CID 62978545) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl-ethylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl-ethylamino]-2-methylpropanoic acid
PubChem CID62978545
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl-ethylamino]-2-methylpropanoic acid
SMILESCCN(C(=O)NCCN(C)C1CC1)C(C)(C)C(=O)O
InChIInChI=1S/C13H25N3O3/c1-5-16(13(2,3)11(17)18)12(19)14-8-9-15(4)10-6-7-10/h10H,5-9H2,1-4H3,(H,14,19)(H,17,18)
InChIKeyCLHLCKXOQVDBPY-UHFFFAOYSA-N
XLogP0.98
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[tert-butyl-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]amino]acetic acid
CID 79256527
2-[[3-(dimethylamino)-3-oxopropyl]carbamoyl-ethylamino]-2-methylpropanoic acid
CID 62822227
3-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-1-methylurea
CID 115613946
2-[ethyl-[3-(ethylamino)propylcarbamoyl]amino]-2-methylpropanoic acid
CID 62820771
2-[ethyl-[2-(oxolan-2-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 55123659
2-[ethyl(4-methoxybutylcarbamoyl)amino]-2-methylpropanoic acid
CID 55123707
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3,3-dimethylbutanamide
CID 76979692
3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-hydroxy-2-methylpropanoic acid
CID 104644439
2-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methylbutanamide
CID 114290664
2-[ethyl(2-pyridin-4-ylethylcarbamoyl)amino]-2-methylpropanoic acid
CID 62821296
2-[[cyclopropyl(propyl)carbamoyl]-ethylamino]-2-methylpropanoic acid
CID 62821983
2-[ethyl(2-methylprop-2-enylcarbamoyl)amino]-2-methylpropanoic acid
CID 114618190

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl-ethylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl-ethylamino]-2-methylpropanoic acid (CID 62978545) is 2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl-ethylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl-ethylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl-ethylamino]-2-methylpropanoic acid is CCN(C(=O)NCCN(C)C1CC1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl-ethylamino]-2-methylpropanoic acid?
The InChIKey is CLHLCKXOQVDBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-5-16(13(2,3)11(17)18)12(19)14-8-9-15(4)10-6-7-10/h10H,5-9H2,1-4H3,(H,14,19)(H,17,18).
What are the key properties of 2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl-ethylamino]-2-methylpropanoic acid?
2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl-ethylamino]-2-methylpropanoic acid has a molecular weight of 271.36 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl-ethylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62978545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).