4-[cyclopropyl(propyl)amino]-2-(propan-2-ylamino)butanoic acid

C13H26N2O2 — CID 63029791

IUPAC4-[cyclopropyl(propyl)amino]-2-(propan-2-ylamino)butanoic acid
SMILESCCCN(CCC(NC(C)C)C(=O)O)C1CC1
InChIInChI=1S/C13H26N2O2/c1-4-8-15(11-5-6-11)9-7-12(13(16)17)14-10(2)3/h10-12,14H,4-9H2,1-3H3,(H,16,17)
InChIKeyOXRQLEBPXKWWEF-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.70
Rot. Bonds9

About 4-[cyclopropyl(propyl)amino]-2-(propan-2-ylamino)butanoic acid

4-[cyclopropyl(propyl)amino]-2-(propan-2-ylamino)butanoic acid (PubChem CID 63029791) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 4-[cyclopropyl(propyl)amino]-2-(propan-2-ylamino)butanoic acid.

Molecular Properties

Compound Name4-[cyclopropyl(propyl)amino]-2-(propan-2-ylamino)butanoic acid
PubChem CID63029791
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name4-[cyclopropyl(propyl)amino]-2-(propan-2-ylamino)butanoic acid
SMILESCCCN(CCC(NC(C)C)C(=O)O)C1CC1
InChIInChI=1S/C13H26N2O2/c1-4-8-15(11-5-6-11)9-7-12(13(16)17)14-10(2)3/h10-12,14H,4-9H2,1-3H3,(H,16,17)
InChIKeyOXRQLEBPXKWWEF-UHFFFAOYSA-N
XLogP1.70
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[methyl(propyl)amino]-2-(propan-2-ylamino)butanoic acid
CID 63028232
methyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(propan-2-ylamino)butanoate
CID 78923978
4-[cyclopropyl(ethyl)amino]-2-(methylamino)butanoic acid
CID 63027479
ethyl 3-[cyclopropyl(3-methylbutyl)amino]-2-(propan-2-ylamino)propanoate
CID 78977501
2-acetamido-3-[cyclopropyl(propyl)amino]propanoic acid
CID 64581319
4-[cyclopropyl(cyclopropylmethyl)amino]-2-(propan-2-ylamino)butanamide
CID 64521837
4-[2-ethoxyethyl(methyl)amino]-2-(propan-2-ylamino)butanoic acid
CID 81061462
4-[cyclopropyl(2-methoxyethyl)amino]-2-(ethylamino)butanoic acid
CID 55145476
4-[methyl(2-methylpropyl)amino]-2-(propan-2-ylamino)butanoic acid
CID 63028225
2-(propan-2-ylamino)heptanoic acid
CID 43754297
3-[cyclopropyl(3-methylbutyl)amino]propanoic acid
CID 60839527
4-[methyl(4-methylpentan-2-yl)amino]-2-(propan-2-ylamino)butanoic acid
CID 63055545

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(propyl)amino]-2-(propan-2-ylamino)butanoic acid?
The IUPAC name of 4-[cyclopropyl(propyl)amino]-2-(propan-2-ylamino)butanoic acid (CID 63029791) is 4-[cyclopropyl(propyl)amino]-2-(propan-2-ylamino)butanoic acid.
What is the SMILES notation for 4-[cyclopropyl(propyl)amino]-2-(propan-2-ylamino)butanoic acid?
The canonical SMILES for 4-[cyclopropyl(propyl)amino]-2-(propan-2-ylamino)butanoic acid is CCCN(CCC(NC(C)C)C(=O)O)C1CC1.
What is the InChIKey of 4-[cyclopropyl(propyl)amino]-2-(propan-2-ylamino)butanoic acid?
The InChIKey is OXRQLEBPXKWWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-8-15(11-5-6-11)9-7-12(13(16)17)14-10(2)3/h10-12,14H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 4-[cyclopropyl(propyl)amino]-2-(propan-2-ylamino)butanoic acid?
4-[cyclopropyl(propyl)amino]-2-(propan-2-ylamino)butanoic acid has a molecular weight of 242.36 g/mol, XLogP of 1.70, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(propyl)amino]-2-(propan-2-ylamino)butanoic acid is sourced from PubChem (CID 63029791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).