5-[cyclopropyl(cyclopropylmethyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanoic acid

C17H32N2O2 — CID 106806317

IUPAC5-[cyclopropyl(cyclopropylmethyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanoic acid
SMILESCCC(CCCN(CC1CC1)C1CC1)(NC(C)C)C(=O)O
InChIInChI=1S/C17H32N2O2/c1-4-17(16(20)21,18-13(2)3)10-5-11-19(15-8-9-15)12-14-6-7-14/h13-15,18H,4-12H2,1-3H3,(H,20,21)
InChIKeyHWENVXVYQUOHAG-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.87
Rot. Bonds11

About 5-[cyclopropyl(cyclopropylmethyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanoic acid

5-[cyclopropyl(cyclopropylmethyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanoic acid (PubChem CID 106806317) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 5-[cyclopropyl(cyclopropylmethyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanoic acid.

Molecular Properties

Compound Name5-[cyclopropyl(cyclopropylmethyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanoic acid
PubChem CID106806317
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name5-[cyclopropyl(cyclopropylmethyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanoic acid
SMILESCCC(CCCN(CC1CC1)C1CC1)(NC(C)C)C(=O)O
InChIInChI=1S/C17H32N2O2/c1-4-17(16(20)21,18-13(2)3)10-5-11-19(15-8-9-15)12-14-6-7-14/h13-15,18H,4-12H2,1-3H3,(H,20,21)
InChIKeyHWENVXVYQUOHAG-UHFFFAOYSA-N
XLogP2.87
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-5-[cyclopropyl(cyclopropylmethyl)amino]-2-ethylpentanoic acid
CID 106806318
5-[cyclopentylmethyl(methyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanoic acid
CID 106806249
5-[cyclopropyl(cyclopropylmethyl)amino]-2,2-dimethylpentanoic acid
CID 65254953
methyl 4-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(propan-2-ylamino)butanoate
CID 64521644
5-[cyclopropylmethyl(propan-2-yl)amino]-2-ethyl-2-(propylamino)pentanoic acid
CID 106806056
5-tert-butylsulfanyl-2-ethyl-2-(propan-2-ylamino)pentanoic acid
CID 106807286
2-(cyclopropylamino)-6-[cyclopropyl(cyclopropylmethyl)amino]-2-methylhexanoic acid
CID 64521035
6-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(propan-2-ylamino)hexanenitrile
CID 64522812
5-(2-ethoxyethoxy)-2-ethyl-2-(propan-2-ylamino)pentanoic acid
CID 106806827
6-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(methylamino)hexanamide
CID 64522437
2-ethyl-5-(oxolan-3-yloxy)-2-(propan-2-ylamino)pentanoic acid
CID 106807068
5-(2,2-difluoroethoxy)-2-ethyl-2-(propan-2-ylamino)pentanoic acid
CID 106807136

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropyl(cyclopropylmethyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanoic acid?
The IUPAC name of 5-[cyclopropyl(cyclopropylmethyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanoic acid (CID 106806317) is 5-[cyclopropyl(cyclopropylmethyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanoic acid.
What is the SMILES notation for 5-[cyclopropyl(cyclopropylmethyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanoic acid?
The canonical SMILES for 5-[cyclopropyl(cyclopropylmethyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanoic acid is CCC(CCCN(CC1CC1)C1CC1)(NC(C)C)C(=O)O.
What is the InChIKey of 5-[cyclopropyl(cyclopropylmethyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanoic acid?
The InChIKey is HWENVXVYQUOHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-4-17(16(20)21,18-13(2)3)10-5-11-19(15-8-9-15)12-14-6-7-14/h13-15,18H,4-12H2,1-3H3,(H,20,21).
What are the key properties of 5-[cyclopropyl(cyclopropylmethyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanoic acid?
5-[cyclopropyl(cyclopropylmethyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanoic acid has a molecular weight of 296.45 g/mol, XLogP of 2.87, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropyl(cyclopropylmethyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanoic acid is sourced from PubChem (CID 106806317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).