3-[tert-butyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]propanoic acid

C14H26N2O3 — CID 60833671

IUPAC3-[tert-butyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]propanoic acid
SMILESCCN(C(=O)CN(CCC(=O)O)C(C)(C)C)C1CC1
InChIInChI=1S/C14H26N2O3/c1-5-16(11-6-7-11)12(17)10-15(14(2,3)4)9-8-13(18)19/h11H,5-10H2,1-4H3,(H,18,19)
InChIKeyZKCFZZLBVWNYGZ-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.57
Rot. Bonds7

About 3-[tert-butyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]propanoic acid

3-[tert-butyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]propanoic acid (PubChem CID 60833671) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-[tert-butyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[tert-butyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]propanoic acid
PubChem CID60833671
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3-[tert-butyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]propanoic acid
SMILESCCN(C(=O)CN(CCC(=O)O)C(C)(C)C)C1CC1
InChIInChI=1S/C14H26N2O3/c1-5-16(11-6-7-11)12(17)10-15(14(2,3)4)9-8-13(18)19/h11H,5-10H2,1-4H3,(H,18,19)
InChIKeyZKCFZZLBVWNYGZ-UHFFFAOYSA-N
XLogP1.57
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopropyl(ethyl)amino]-3-oxopropanoic acid
CID 62231745
2-[carboxymethyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid
CID 55245176
2-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid
CID 43465978
2-[cyclopropyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid
CID 54945400
2-[tert-butyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid
CID 79269392
2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-cyclopropyl-N-ethylacetamide
CID 62009796
3-[cyclopropyl(diethylcarbamoyl)amino]propanoic acid
CID 61186595
3-[acetyl(cyclopropyl)amino]propanoic acid
CID 60843836
3-[cyclopropyl-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid
CID 61455996
4-[cyclopropyl(propyl)amino]-4-oxobutanoic acid
CID 43270140
3-[cyclopropyl(hexanoyl)amino]propanoic acid
CID 60843685
3-[tert-butyl-[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]propanoic acid
CID 64522773

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]propanoic acid?
The IUPAC name of 3-[tert-butyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]propanoic acid (CID 60833671) is 3-[tert-butyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for 3-[tert-butyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for 3-[tert-butyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]propanoic acid is CCN(C(=O)CN(CCC(=O)O)C(C)(C)C)C1CC1.
What is the InChIKey of 3-[tert-butyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]propanoic acid?
The InChIKey is ZKCFZZLBVWNYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-16(11-6-7-11)12(17)10-15(14(2,3)4)9-8-13(18)19/h11H,5-10H2,1-4H3,(H,18,19).
What are the key properties of 3-[tert-butyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]propanoic acid?
3-[tert-butyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]propanoic acid has a molecular weight of 270.37 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 60833671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).