2-[tert-butyl-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]amino]acetic acid

C13H25N3O3 — CID 79256527

IUPAC2-[tert-butyl-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]amino]acetic acid
SMILESCN(CCNC(=O)N(CC(=O)O)C(C)(C)C)C1CC1
InChIInChI=1S/C13H25N3O3/c1-13(2,3)16(9-11(17)18)12(19)14-7-8-15(4)10-5-6-10/h10H,5-9H2,1-4H3,(H,14,19)(H,17,18)
InChIKeyAIGKSGWLDNZYCW-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.98
Rot. Bonds6

About 2-[tert-butyl-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]amino]acetic acid

2-[tert-butyl-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]amino]acetic acid (PubChem CID 79256527) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[tert-butyl-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]amino]acetic acid
PubChem CID79256527
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name2-[tert-butyl-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]amino]acetic acid
SMILESCN(CCNC(=O)N(CC(=O)O)C(C)(C)C)C1CC1
InChIInChI=1S/C13H25N3O3/c1-13(2,3)16(9-11(17)18)12(19)14-7-8-15(4)10-5-6-10/h10H,5-9H2,1-4H3,(H,14,19)(H,17,18)
InChIKeyAIGKSGWLDNZYCW-UHFFFAOYSA-N
XLogP0.98
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl-ethylamino]-2-methylpropanoic acid
CID 62978545
2-[tert-butyl-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]amino]acetic acid
CID 79256526
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3,3-dimethylbutanamide
CID 76979692
(2S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119863863
2-[tert-butyl-[3-(diethylamino)propylcarbamoyl]amino]acetic acid
CID 79256585
2-[tert-butyl-[4-[methyl(propan-2-yl)amino]butylcarbamoyl]amino]acetic acid
CID 79264253
2-[tert-butyl(cyclobutylmethylcarbamoyl)amino]acetic acid
CID 79257496
2-[2-[cyclopentyl(methyl)amino]ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79271649
3-[tert-butyl-[2-(dimethylamino)ethylcarbamoyl]amino]propanoic acid
CID 61189216
2-[tert-butyl(4,4,4-trifluorobutylcarbamoyl)amino]acetic acid
CID 115521249
2-[cyclopropyl(3,3-dimethylbutylcarbamoyl)amino]acetic acid
CID 103995838
3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2,2-dimethylpropanamide;dihydrochloride
CID 119863852

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[tert-butyl-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]amino]acetic acid (CID 79256527) is 2-[tert-butyl-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]amino]acetic acid is CN(CCNC(=O)N(CC(=O)O)C(C)(C)C)C1CC1.
What is the InChIKey of 2-[tert-butyl-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]amino]acetic acid?
The InChIKey is AIGKSGWLDNZYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-13(2,3)16(9-11(17)18)12(19)14-7-8-15(4)10-5-6-10/h10H,5-9H2,1-4H3,(H,14,19)(H,17,18).
What are the key properties of 2-[tert-butyl-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]amino]acetic acid?
2-[tert-butyl-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]amino]acetic acid has a molecular weight of 271.36 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 79256527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).