5-[cyclopropylmethyl(propan-2-yl)amino]-2-ethyl-2-(propylamino)pentanoic acid

C17H34N2O2 — CID 106806056

IUPAC5-[cyclopropylmethyl(propan-2-yl)amino]-2-ethyl-2-(propylamino)pentanoic acid
SMILESCCCNC(CC)(CCCN(CC1CC1)C(C)C)C(=O)O
InChIInChI=1S/C17H34N2O2/c1-5-11-18-17(6-2,16(20)21)10-7-12-19(14(3)4)13-15-8-9-15/h14-15,18H,5-13H2,1-4H3,(H,20,21)
InChIKeyPXQOWDHREKQMPQ-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.12
Rot. Bonds12

About 5-[cyclopropylmethyl(propan-2-yl)amino]-2-ethyl-2-(propylamino)pentanoic acid

5-[cyclopropylmethyl(propan-2-yl)amino]-2-ethyl-2-(propylamino)pentanoic acid (PubChem CID 106806056) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 5-[cyclopropylmethyl(propan-2-yl)amino]-2-ethyl-2-(propylamino)pentanoic acid.

Molecular Properties

Compound Name5-[cyclopropylmethyl(propan-2-yl)amino]-2-ethyl-2-(propylamino)pentanoic acid
PubChem CID106806056
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name5-[cyclopropylmethyl(propan-2-yl)amino]-2-ethyl-2-(propylamino)pentanoic acid
SMILESCCCNC(CC)(CCCN(CC1CC1)C(C)C)C(=O)O
InChIInChI=1S/C17H34N2O2/c1-5-11-18-17(6-2,16(20)21)10-7-12-19(14(3)4)13-15-8-9-15/h14-15,18H,5-13H2,1-4H3,(H,20,21)
InChIKeyPXQOWDHREKQMPQ-UHFFFAOYSA-N
XLogP3.12
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-2-ethyl-5-[propan-2-yl(propyl)amino]pentanoic acid
CID 106805763
5-[cyclopentylmethyl(methyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanoic acid
CID 106806249
5-[3-(dimethylamino)propyl-methylamino]-2-ethyl-2-(propylamino)pentanoic acid
CID 106806270
5-[cyclopropyl(cyclopropylmethyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanoic acid
CID 106806317
N-(cyclopropylmethyl)-N-propan-2-ylbutan-1-amine
CID 170060972
2-ethyl-2-(ethylamino)-5-[methyl(oxan-4-ylmethyl)amino]pentanoic acid
CID 106806277
4-[cyclopropylmethyl(propan-2-yl)amino]-2-(propylamino)butanoic acid
CID 63053259
5-cyclohexyloxy-2-ethyl-2-(propylamino)pentanoic acid
CID 106806896
5-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 63955670
2-(cyclopropylamino)-5-[cyclopropyl(cyclopropylmethyl)amino]-2-ethylpentanoic acid
CID 106806318
5-[cyclopropylmethyl(propan-2-yl)amino]-2-methyl-2-(methylamino)pentan-1-ol
CID 64826014
2-ethyl-2-(propylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid
CID 106807111

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropylmethyl(propan-2-yl)amino]-2-ethyl-2-(propylamino)pentanoic acid?
The IUPAC name of 5-[cyclopropylmethyl(propan-2-yl)amino]-2-ethyl-2-(propylamino)pentanoic acid (CID 106806056) is 5-[cyclopropylmethyl(propan-2-yl)amino]-2-ethyl-2-(propylamino)pentanoic acid.
What is the SMILES notation for 5-[cyclopropylmethyl(propan-2-yl)amino]-2-ethyl-2-(propylamino)pentanoic acid?
The canonical SMILES for 5-[cyclopropylmethyl(propan-2-yl)amino]-2-ethyl-2-(propylamino)pentanoic acid is CCCNC(CC)(CCCN(CC1CC1)C(C)C)C(=O)O.
What is the InChIKey of 5-[cyclopropylmethyl(propan-2-yl)amino]-2-ethyl-2-(propylamino)pentanoic acid?
The InChIKey is PXQOWDHREKQMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-5-11-18-17(6-2,16(20)21)10-7-12-19(14(3)4)13-15-8-9-15/h14-15,18H,5-13H2,1-4H3,(H,20,21).
What are the key properties of 5-[cyclopropylmethyl(propan-2-yl)amino]-2-ethyl-2-(propylamino)pentanoic acid?
5-[cyclopropylmethyl(propan-2-yl)amino]-2-ethyl-2-(propylamino)pentanoic acid has a molecular weight of 298.47 g/mol, XLogP of 3.12, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropylmethyl(propan-2-yl)amino]-2-ethyl-2-(propylamino)pentanoic acid is sourced from PubChem (CID 106806056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).